supplementary materials


rk2386 scheme

Acta Cryst. (2013). E69, m137-m138    [ doi:10.1107/S1600536813003152 ]

Chlorido{4-ethyl-1-[1-(pyrazin-2-yl)ethylidene]thiosemicabazidato-[kappa]S}bis(triphenylphosphane-[kappa]P)silver(I)

R. Venkatraman, K. D. Ruddock, H. S. Das, M. A. Hossain and F. R. Fronczek

Abstract top

The title compound, [Ag(C9H13N5S)Cl(C18H15P)2], crystallizes with four independent molecules in the asymmetric unit, in each of which the Ag atom is in a distorted tetrahedral coordination, defined by the chloride ligand, the S atom of the neutral ligand and two P atoms derived from the triphenyl phosphine ligands. The thiosemicarbazone acts as a monodentate ligand through its thione S atom. An intramolecular N-H...Cl hydrogen bond occurs in two of the independent molecules. In the crystal, the molecules are assembled through N-H...Cl hydrogen bonds, forming chains along [101].

Comment top

Thiosemicarbazones are versatile ligands for several metals due to the keto–enol tautomeric form exhibited by the molecules (Ali & Livingstone, 1974; Campbell, 1975; Pellerito & Negy, 2002; Raper, 1985; Casas et al., 2000; Blanz & French, 1968; Grecu & Neamtu, 1967; Lobana et al., 1998; Bermejo et al., 2003; Akinchan et al., 2002; Zhou et al. 2008; Huheey et al., 1993). Among the metals that complex with thiosemicarbazones, Ag(I), and Cu(I) are known to interact with thiosemicarbazones differently and the resulting compounds exhibit variable structural features depending on the conditions of their preparation. Recently, the influence of substituents at the C2 carbon of thiosemicarbazones on bonding and nuclearity of silver complexes were investigated (Lobana et al., 2008). Among the ligands that ligate with Ag(I) with pyrazine thiosemicarbazone received less attention.

In continuation of our study on metal complexes with thiosemicarbazones, we report herein a silver complex (Scheme 1) formed by the reaction of 2–acetylpyrazine N(4)–ethyl–3–thiosemicarbazone with AgCl in presence of triphenylphosphine as a coligand. The compound crystallizes with four independent molecules in asymmetric unit (Fig. 1). The Ag—S bond distances vary from 2.6816 (8)Å to 2.7412 (9)Å with a mean value of 2.7067 (9)Å. The Ag—S bond distance is smaller than the sum of ionic radii of Ag and S ions (2.78Å). On the other hand, the distances of Ag—P are in the range of 2.4784 (8)Å to 2.4877 (8)Å with a mean value of 2.4835 (8)Å which are smaller than that observed for Ag—S bonds. The average bond distance of Ag—P is comparable to the mononuclear silver complex of thiosemicarbazone (2.4409 (7)Å and 2.4879 (7)Å) reported by Lobana et al. (2008). In the asymmetric unit the four Ag—Cl bonds distances are almost similar (2.5900 (8)Å to 2.5932 (8)Å) with a mean value of 2.5921 (8)Å which is shorter than the sum of the ionic radii of silver and chloride (2.75Å). The C—S bond distances in all four units is identical to 1.704 (3)Å which is much longer than the literature value (1.6796 (9)Å) for the free ligand reported by Venkatraman et al. (2009). As shown in the Fig. 2, the molecules are linked with intra– and inter–molecular N—H···Cl hydrogen bonding interactions (Hossain et al., 2002).

Related literature top

For general background to thiosemicarbazones, see: Akinchan et al. (2002); Ali & Livingstone (1974); Bermejo et al. (2003); Blanz & French (1968); Campbell (1975); Casas et al. (2000); Grecu & Neamtu (1967); Hossain et al. (2002); Huheey et al. (1993); Lobana et al. (1998, 2008); Pellerito & Negy (2002); Raper (1985); Venkatraman et al. (2009); Zhou et al. (2008).

Experimental top

To a freshly prepared AgCl (0.143 g, 1 mmol) suspended in acetonitrile (20 ml) and was mixed with an acetonitrile solution of 2–acetylpyrazine N(4)–ethyl–3–thiosemicarbazone (0.223 g, 1 mmol,) (Venkatraman et al., 2009) and the resulting mixture was stirred overnight. To the white solid formed in acetonitrile, solid triphenylphosphine (0.530 g, 2 mmol) was added in two equal aliquots to obtain a clear solution. The solution was filtered and left for crystallization at room temperature.

Refinement top

H atom of NH group was located in difference syntheses and refined isotropically with Uiso(H) = 1.2Ueq(N). The remaining H atoms were positioned geometrically with C—H = 0.95Å, 0.99Å and 0.98Å for aromatic, methylene and methyl H atoms, respectively, and constrained to ride on their parent atoms with Uiso(H) = xUeq(C), where x = 1.5 for methyl H, and x = 1.2 for all other H atoms.

Computing details top

Data collection: COLLECT (Nonius, 2000); cell refinement: SCALEPACK (Otwinowski & Minor, 1997); data reduction: DENZO and SCALEPACK (Otwinowski & Minor, 1997); program(s) used to solve structure: SIR97 (Altomare et al., 1999); program(s) used to refine structure: SHELXH (Sheldrick, 2008); molecular graphics: ORTEP-3 for Windows (Farrugia, 2012); software used to prepare material for publication: SHELXH (Sheldrick, 2008).

Figures top
[Figure 1] Fig. 1. The molecular structure of the title compound. Displacement ellipsoids are drawn at the 50% probability level. H atoms are presented as a small spheres of arbitrary radius. Only base atoms are labeled for clarity.
[Figure 2] Fig. 2. Intra– and inter–molecular hydrogen bonding in the crystal structure of title compound viewed along a axis.
Chlorido{4-ethyl-1-[1-(pyrazin-2-yl)ethylidene]thiosemicabazidato-κS}bis(triphenylphosphane-κP)silver(I) top
Crystal data top
[Ag(C9H13N5S)Cl(C18H15P)2]F(000) = 3664
Mr = 891.17Dx = 1.421 Mg m3
Monoclinic, P21Mo Kα radiation, λ = 0.71073 Å
Hall symbol: P 2ybCell parameters from 28230 reflections
a = 12.0640 (5) Åθ = 2.5–32.5°
b = 31.810 (2) ŵ = 0.71 mm1
c = 21.9207 (15) ÅT = 90 K
β = 98.029 (5)°Block, colourless
V = 8329.7 (9) Å30.27 × 0.22 × 0.20 mm
Z = 8
Data collection top
Nonius KappaCCD
diffractometer with Oxford Cryostream system
54942 independent reflections
Radiation source: fine–focus sealed tube44399 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.055
ω– and φ–scansθmax = 32.6°, θmin = 2.5°
Absorption correction: multi-scan
(DENZO and SCALEPACK; Otwinowski & Minor, 1997)
h = 1818
Tmin = 0.831, Tmax = 0.870k = 4648
138032 measured reflectionsl = 3232
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.042H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.103 w = 1/[σ2(Fo2) + (0.0471P)2 + 3.4676P]
where P = (Fo2 + 2Fc2)/3
S = 1.03(Δ/σ)max = 0.002
54942 reflectionsΔρmax = 1.03 e Å3
2007 parametersΔρmin = 0.85 e Å3
9 restraintsAbsolute structure: Flack (1983), 25,519 Friedel pairs
Primary atom site location: structure-invariant direct methodsFlack parameter: 0.382 (11)
Crystal data top
[Ag(C9H13N5S)Cl(C18H15P)2]V = 8329.7 (9) Å3
Mr = 891.17Z = 8
Monoclinic, P21Mo Kα radiation
a = 12.0640 (5) ŵ = 0.71 mm1
b = 31.810 (2) ÅT = 90 K
c = 21.9207 (15) Å0.27 × 0.22 × 0.20 mm
β = 98.029 (5)°
Data collection top
Nonius KappaCCD
diffractometer with Oxford Cryostream system
54942 independent reflections
Absorption correction: multi-scan
(DENZO and SCALEPACK; Otwinowski & Minor, 1997)
44399 reflections with I > 2σ(I)
Tmin = 0.831, Tmax = 0.870Rint = 0.055
138032 measured reflectionsθmax = 32.6°
Refinement top
R[F2 > 2σ(F2)] = 0.042H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.103Δρmax = 1.03 e Å3
S = 1.03Δρmin = 0.85 e Å3
54942 reflectionsAbsolute structure: Flack (1983), 25,519 Friedel pairs
2007 parametersFlack parameter: 0.382 (11)
9 restraints
Special details top

Geometry. All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell s.u.'s are taken into account individually in the estimation of s.u.'s in distances, angles and torsion angles; correlations between s.u.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell s.u.'s is used for estimating s.u.'s involving l.s. planes.

Refinement. Refinement of F2 against ALL reflections. The weighted R–factor wR and goodness of fit S are based on F2, conventional R–factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R–factors(gt) etc. and is not relevant to the choice of reflections for refinement. R–factors based on F2 are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Ag10.723632 (16)0.688036 (7)0.820344 (9)0.01593 (5)
Cl10.86926 (6)0.65407 (2)0.90391 (3)0.01736 (14)
N10.7674 (2)0.57932 (9)0.80150 (12)0.0178 (5)
H1N0.803 (3)0.6002 (8)0.8216 (14)0.021*
N20.8198 (2)0.55463 (9)0.76375 (13)0.0172 (5)
N30.5999 (2)0.56061 (9)0.74491 (12)0.0185 (5)
H3N0.639 (3)0.5417 (9)0.7287 (16)0.022*
N41.0907 (2)0.52049 (10)0.74080 (14)0.0232 (6)
N50.9582 (2)0.47812 (10)0.64508 (13)0.0217 (6)
P10.59953 (6)0.74435 (3)0.84917 (4)0.01490 (15)
P20.78028 (6)0.69445 (3)0.71589 (3)0.01796 (15)
S10.59041 (6)0.62016 (3)0.83052 (4)0.01636 (14)
C10.6544 (2)0.58431 (10)0.78917 (13)0.0147 (5)
C20.9254 (2)0.54798 (10)0.77890 (14)0.0161 (6)
C30.9931 (3)0.56410 (12)0.83686 (16)0.0219 (7)
H3A0.97730.59400.84170.033*
H3B1.07290.56030.83440.033*
H3C0.97320.54850.87230.033*
C40.9783 (2)0.52177 (10)0.73496 (15)0.0162 (6)
C51.1349 (3)0.49938 (12)0.69781 (17)0.0276 (8)
H51.21410.49820.70040.033*
C61.0700 (3)0.47899 (11)0.64920 (16)0.0237 (7)
H61.10560.46550.61850.028*
C70.9139 (3)0.49924 (11)0.68781 (15)0.0182 (6)
H70.83490.49910.68640.022*
C80.4778 (2)0.56112 (12)0.72850 (16)0.0244 (7)
H8A0.45810.54910.68670.029*
H8B0.45140.59060.72720.029*
C90.4185 (3)0.53695 (13)0.77261 (18)0.0375 (9)
H9A0.33750.53860.75970.056*
H9B0.43690.54890.81400.056*
H9C0.44220.50750.77310.056*
C100.6477 (2)0.79894 (10)0.85914 (13)0.0163 (6)
C110.7392 (2)0.81151 (9)0.83082 (13)0.0205 (6)
H110.77820.79160.80940.025*
C120.7730 (2)0.85361 (9)0.83422 (14)0.0231 (6)
H120.83530.86240.81530.028*
C130.7158 (3)0.88233 (11)0.86504 (14)0.0245 (7)
H130.73750.91110.86610.029*
C140.6270 (3)0.86977 (9)0.89457 (14)0.0259 (6)
H140.58920.88970.91650.031*
C150.5932 (2)0.82786 (9)0.89200 (13)0.0226 (6)
H150.53300.81910.91270.027*
C160.5438 (2)0.73372 (9)0.92063 (13)0.0181 (6)
C170.4305 (3)0.73699 (9)0.92650 (14)0.0255 (6)
H170.37820.74520.89210.031*
C180.3938 (3)0.72836 (10)0.98251 (16)0.0324 (7)
H180.31640.73010.98610.039*
C190.4705 (3)0.71709 (10)1.03343 (16)0.0362 (8)
H190.44560.71191.07200.043*
C200.5821 (4)0.71342 (13)1.02790 (18)0.0390 (9)
H200.63440.70591.06270.047*
C210.6185 (3)0.72077 (12)0.97114 (15)0.0313 (8)
H210.69510.71690.96700.038*
C220.4748 (2)0.74862 (10)0.79088 (13)0.0187 (6)
C230.4369 (3)0.78667 (10)0.76388 (14)0.0283 (7)
H230.47570.81200.77580.034*
C240.3418 (3)0.78747 (10)0.71930 (16)0.0351 (8)
H240.31600.81350.70130.042*
C250.2852 (3)0.75088 (11)0.70126 (15)0.0313 (7)
H250.22060.75170.67110.038*
C260.3230 (3)0.71324 (10)0.72730 (15)0.0275 (7)
H260.28380.68800.71530.033*
C270.4186 (2)0.71185 (10)0.77124 (14)0.0237 (6)
H270.44540.68560.78780.028*
C280.9007 (3)0.66345 (10)0.70072 (15)0.0184 (6)
C290.9094 (3)0.64519 (11)0.64350 (15)0.0203 (6)
H290.85010.64840.61040.024*
C301.0044 (3)0.62231 (11)0.63466 (16)0.0232 (7)
H301.00890.60950.59590.028*
C311.0919 (3)0.61826 (12)0.68209 (16)0.0244 (7)
H311.15750.60340.67550.029*
C321.0845 (3)0.63581 (13)0.73915 (17)0.0260 (7)
H321.14490.63290.77170.031*
C330.9888 (3)0.65777 (11)0.74910 (15)0.0228 (6)
H330.98300.66890.78870.027*
C340.6669 (2)0.68237 (10)0.65440 (13)0.0210 (6)
C350.5753 (3)0.66037 (11)0.66935 (14)0.0266 (7)
H350.57520.65110.71050.032*
C360.4834 (3)0.65156 (12)0.62534 (15)0.0331 (8)
H360.42110.63680.63680.040*
C370.4826 (3)0.66418 (10)0.56546 (14)0.0280 (7)
H370.42010.65800.53540.034*
C380.5734 (3)0.68602 (10)0.54892 (13)0.0258 (6)
H380.57280.69490.50750.031*
C390.6650 (3)0.69486 (10)0.59258 (13)0.0235 (6)
H390.72720.70950.58070.028*
C400.8220 (3)0.74817 (10)0.69748 (14)0.0248 (7)
C410.9313 (3)0.76130 (11)0.71415 (16)0.0302 (7)
H410.98650.74170.73120.036*
C420.9613 (4)0.80336 (12)0.70605 (18)0.0384 (9)
H421.03620.81220.71860.046*
C430.8836 (4)0.83164 (12)0.68024 (19)0.0479 (11)
H430.90460.86000.67430.057*
C440.7730 (4)0.81873 (11)0.66248 (19)0.0486 (10)
H440.71890.83820.64390.058*
C450.7420 (3)0.77722 (11)0.67199 (16)0.0354 (8)
H450.66630.76870.66110.042*
Ag20.224068 (16)0.688496 (6)0.323769 (9)0.01375 (4)
Cl20.36640 (6)0.65160 (2)0.40620 (3)0.01616 (14)
N60.2600 (2)0.57945 (9)0.30150 (12)0.0164 (5)
H6N0.297 (2)0.6001 (8)0.3217 (14)0.020*
N70.3116 (2)0.55402 (9)0.26416 (13)0.0161 (5)
N80.0918 (2)0.56014 (9)0.24624 (12)0.0180 (5)
H8N0.129 (3)0.5404 (9)0.2313 (16)0.022*
N90.5816 (2)0.51946 (9)0.24039 (14)0.0211 (6)
N100.4469 (2)0.47841 (10)0.14338 (13)0.0218 (6)
P30.09628 (6)0.74264 (3)0.35680 (4)0.01405 (15)
P40.29648 (6)0.69742 (2)0.22380 (3)0.01487 (15)
S20.08349 (6)0.62324 (3)0.32583 (4)0.01625 (14)
C460.1472 (2)0.58511 (10)0.28866 (14)0.0144 (5)
C470.4171 (2)0.54722 (10)0.27876 (14)0.0156 (6)
C480.4871 (2)0.56431 (11)0.33545 (15)0.0188 (6)
H48A0.47230.59440.33910.028*
H48B0.56650.56000.33230.028*
H48C0.46800.54960.37190.028*
C490.4690 (2)0.52074 (10)0.23486 (15)0.0157 (6)
C500.6249 (3)0.49865 (12)0.19625 (17)0.0260 (7)
H500.70400.49690.19860.031*
C510.5589 (3)0.47956 (11)0.14714 (16)0.0233 (7)
H510.59380.46700.11540.028*
C520.4034 (3)0.49866 (11)0.18741 (15)0.0185 (6)
H520.32460.49820.18680.022*
C530.0295 (2)0.56230 (11)0.22756 (15)0.0228 (6)
H53A0.04790.54940.18630.027*
H53B0.05240.59220.22420.027*
C540.0952 (3)0.54061 (12)0.27121 (17)0.0332 (8)
H54A0.17530.54340.25640.050*
H54B0.07840.55340.31210.050*
H54C0.07500.51080.27370.050*
C550.0384 (2)0.73692 (9)0.30721 (14)0.0174 (6)
C560.0344 (2)0.72546 (10)0.24668 (14)0.0248 (6)
H560.03610.72060.23340.030*
C570.1311 (2)0.72104 (11)0.20526 (14)0.0272 (7)
H570.12640.71350.16380.033*
C580.2340 (2)0.72749 (11)0.22384 (14)0.0266 (7)
H580.30040.72480.19520.032*
C590.2400 (2)0.73806 (10)0.28518 (14)0.0274 (7)
H590.31090.74210.29850.033*
C600.1427 (2)0.74268 (9)0.32665 (13)0.0217 (6)
H600.14710.74980.36830.026*
C610.1279 (2)0.79871 (10)0.35066 (13)0.0156 (6)
C620.0583 (2)0.82645 (9)0.31367 (13)0.0181 (5)
H620.00880.81650.29030.022*
C630.0874 (2)0.86885 (9)0.31104 (14)0.0214 (6)
H630.03980.88780.28620.026*
C640.1865 (2)0.88337 (10)0.34501 (13)0.0211 (6)
H640.20600.91230.34380.025*
C650.2558 (2)0.85580 (9)0.38011 (13)0.0211 (6)
H650.32390.86570.40250.025*
C660.2272 (2)0.81349 (9)0.38338 (13)0.0192 (5)
H660.27580.79470.40800.023*
C670.0663 (2)0.73918 (10)0.43656 (13)0.0177 (6)
C680.0057 (2)0.77009 (10)0.46254 (14)0.0230 (6)
H680.02140.79380.43870.028*
C690.0156 (2)0.76655 (10)0.52343 (14)0.0254 (6)
H690.05850.78730.54060.030*
C700.0269 (3)0.73231 (11)0.55850 (15)0.0296 (7)
H700.01220.72940.59980.035*
C710.0904 (3)0.70249 (12)0.53351 (16)0.0299 (8)
H710.12040.67940.55800.036*
C720.1110 (3)0.70583 (10)0.47272 (15)0.0223 (6)
H720.15550.68530.45610.027*
C730.4135 (2)0.66460 (10)0.20850 (14)0.0164 (6)
C740.5058 (2)0.66061 (11)0.25459 (14)0.0210 (6)
H740.50470.67360.29350.025*
C750.5991 (3)0.63762 (12)0.24352 (16)0.0244 (7)
H750.66270.63590.27430.029*
C760.5992 (3)0.61724 (11)0.18774 (16)0.0229 (7)
H760.66300.60150.18040.028*
C770.5069 (3)0.61954 (11)0.14251 (15)0.0218 (6)
H770.50670.60480.10480.026*
C780.4146 (3)0.64344 (11)0.15252 (15)0.0180 (6)
H780.35180.64540.12120.022*
C790.3445 (2)0.75107 (10)0.21133 (13)0.0180 (6)
C800.4501 (3)0.76028 (10)0.19634 (14)0.0238 (6)
H800.50090.73820.19110.029*
C810.4816 (3)0.80230 (11)0.18893 (16)0.0296 (7)
H810.55440.80850.17950.036*
C820.4080 (3)0.83442 (11)0.19526 (16)0.0336 (8)
H820.42900.86270.18920.040*
C830.3028 (3)0.82540 (10)0.21054 (16)0.0334 (8)
H830.25210.84760.21520.040*
C840.2712 (3)0.78410 (9)0.21902 (14)0.0260 (6)
H840.19940.77820.23010.031*
C850.1917 (2)0.68908 (10)0.15654 (12)0.0168 (5)
C860.1090 (2)0.65863 (10)0.15994 (13)0.0208 (6)
H860.10850.64290.19680.025*
C870.0275 (3)0.65125 (10)0.10965 (14)0.0248 (6)
H870.02870.63070.11250.030*
C880.0278 (3)0.67346 (11)0.05595 (15)0.0286 (8)
H880.02770.66800.02170.034*
C890.1085 (3)0.70359 (10)0.05165 (13)0.0277 (7)
H890.10810.71900.01450.033*
C900.1904 (2)0.71145 (10)0.10158 (14)0.0242 (6)
H900.24600.73220.09830.029*
Ag30.473216 (16)0.435776 (6)0.576047 (9)0.01369 (5)
Cl30.61650 (6)0.47296 (2)0.65742 (3)0.01630 (13)
N110.5127 (2)0.54412 (9)0.55109 (12)0.0157 (5)
H11N0.547 (2)0.5309 (10)0.5837 (11)0.019*
N120.5656 (2)0.56962 (9)0.51289 (12)0.0163 (5)
N130.3463 (2)0.56313 (9)0.49290 (12)0.0175 (5)
H13N0.381 (3)0.5821 (9)0.4736 (15)0.021*
N140.8364 (2)0.60499 (9)0.49304 (14)0.0224 (6)
N150.7056 (2)0.64570 (10)0.39430 (12)0.0211 (6)
P50.34543 (6)0.38197 (3)0.61001 (4)0.01413 (15)
P60.54480 (6)0.42590 (3)0.47599 (3)0.01462 (15)
S30.33439 (6)0.50170 (3)0.57482 (4)0.01697 (15)
C910.3997 (2)0.53877 (10)0.53675 (14)0.0154 (6)
C920.6714 (2)0.57670 (10)0.52943 (14)0.0159 (6)
C930.7392 (3)0.56075 (12)0.58698 (16)0.0228 (7)
H93A0.71540.57480.62270.034*
H93B0.81860.56660.58570.034*
H93C0.72800.53040.59030.034*
C940.7246 (2)0.60256 (10)0.48505 (14)0.0158 (6)
C950.8817 (3)0.62717 (12)0.45030 (17)0.0265 (8)
H950.96080.62960.45420.032*
C960.8178 (3)0.64632 (12)0.40133 (17)0.0241 (7)
H960.85420.66040.37150.029*
C970.6597 (3)0.62427 (11)0.43676 (15)0.0180 (6)
H970.58050.62370.43430.022*
C980.2258 (2)0.56039 (11)0.47262 (15)0.0213 (6)
H98A0.20330.53040.46950.026*
H98B0.20840.57310.43110.026*
C990.1591 (3)0.58266 (13)0.51643 (18)0.0378 (9)
H99A0.07900.57980.50160.057*
H99B0.17940.61250.51860.057*
H99C0.17560.57010.55750.057*
C1000.3150 (2)0.38481 (9)0.68954 (13)0.0173 (6)
C1010.2538 (2)0.35355 (9)0.71551 (13)0.0219 (6)
H1010.22650.33000.69130.026*
C1020.2326 (2)0.35663 (11)0.77614 (14)0.0258 (6)
H1020.19040.33550.79310.031*
C1030.2737 (3)0.39084 (10)0.81157 (14)0.0282 (7)
H1030.25800.39370.85260.034*
C1040.3379 (3)0.42092 (12)0.78689 (16)0.0321 (8)
H1040.36840.44360.81190.039*
C1050.3584 (3)0.41839 (10)0.72604 (15)0.0248 (7)
H1050.40170.43940.70960.030*
C1060.3779 (2)0.32625 (10)0.60382 (14)0.0154 (6)
C1070.4774 (2)0.31149 (9)0.63677 (13)0.0202 (5)
H1070.52560.33040.66140.024*
C1080.5068 (2)0.26930 (10)0.63396 (13)0.0228 (6)
H1080.57560.25970.65600.027*
C1090.4364 (3)0.24128 (10)0.59929 (14)0.0214 (6)
H1090.45550.21230.59850.026*
C1100.3367 (2)0.25581 (9)0.56538 (13)0.0196 (6)
H1100.28890.23680.54080.023*
C1110.3075 (2)0.29808 (9)0.56751 (13)0.0185 (5)
H1110.24000.30780.54440.022*
C1120.2114 (2)0.38766 (9)0.56068 (13)0.0165 (5)
C1130.1067 (2)0.38141 (9)0.57933 (13)0.0207 (5)
H1130.10170.37400.62080.025*
C1140.0087 (2)0.38603 (10)0.53726 (14)0.0250 (6)
H1140.06230.38180.55030.030*
C1150.0154 (2)0.39675 (11)0.47695 (15)0.0268 (7)
H1150.05100.39950.44840.032*
C1160.1180 (3)0.40352 (11)0.45798 (14)0.0287 (7)
H1160.12240.41120.41650.034*
C1170.2154 (2)0.39908 (10)0.49974 (13)0.0235 (6)
H1170.28600.40390.48640.028*
C1180.6609 (2)0.45917 (10)0.45967 (14)0.0170 (6)
C1190.7531 (2)0.46313 (11)0.50541 (15)0.0207 (6)
H1190.75270.44990.54420.025*
C1200.8460 (3)0.48661 (12)0.49410 (16)0.0228 (7)
H1200.90900.48910.52520.027*
C1210.8467 (3)0.50637 (11)0.43751 (16)0.0221 (7)
H1210.91060.52170.42950.027*
C1220.7533 (3)0.50349 (11)0.39270 (15)0.0219 (6)
H1220.75260.51760.35450.026*
C1230.6604 (3)0.47990 (10)0.40375 (15)0.0182 (6)
H1230.59680.47800.37300.022*
C1240.4400 (2)0.43286 (10)0.40783 (12)0.0172 (5)
C1250.4387 (2)0.40877 (10)0.35524 (13)0.0227 (6)
H1250.49320.38740.35380.027*
C1260.35831 (19)0.41567 (8)0.30446 (10)0.0281 (7)
H1260.35750.39870.26870.034*
C1270.27943 (19)0.44705 (8)0.30562 (10)0.0266 (7)
H1270.22530.45200.27050.032*
C1280.2796 (3)0.47113 (11)0.35795 (15)0.0271 (7)
H1280.22530.49260.35900.032*
C1290.3596 (3)0.46393 (10)0.40927 (14)0.0223 (6)
H1290.35910.48040.44540.027*
C1300.5952 (2)0.37254 (10)0.46526 (13)0.0186 (6)
C1310.7004 (3)0.36319 (11)0.45056 (15)0.0241 (7)
H1310.75070.38540.44520.029*
C1320.7338 (3)0.32179 (12)0.44343 (17)0.0341 (8)
H1320.80640.31600.43340.041*
C1330.6611 (3)0.28918 (11)0.45095 (16)0.0344 (8)
H1330.68350.26090.44560.041*
C1340.5567 (3)0.29753 (10)0.46617 (15)0.0321 (7)
H1340.50710.27510.47170.039*
C1350.5238 (3)0.33892 (9)0.47343 (13)0.0255 (6)
H1350.45150.34450.48410.031*
Ag40.038125 (18)0.439474 (6)0.073147 (9)0.01726 (5)
Cl40.10740 (6)0.47297 (2)0.15720 (3)0.01678 (14)
N160.0143 (2)0.54561 (9)0.05256 (13)0.0156 (5)
H16N0.047 (3)0.5308 (9)0.0825 (12)0.019*
N170.0680 (2)0.57030 (9)0.01351 (12)0.0154 (5)
N180.1502 (2)0.56879 (10)0.00276 (12)0.0192 (5)
H18N0.112 (3)0.5859 (10)0.0222 (16)0.023*
N190.3403 (2)0.59985 (10)0.01125 (14)0.0248 (6)
N200.2088 (2)0.64353 (10)0.10746 (13)0.0236 (6)
P70.15849 (6)0.38179 (3)0.10226 (4)0.01484 (15)
P80.01543 (7)0.43194 (3)0.03167 (3)0.02084 (16)
S40.16819 (6)0.50928 (3)0.08195 (4)0.01785 (15)
C1360.0996 (2)0.54359 (10)0.04060 (14)0.0160 (6)
C1370.1748 (2)0.57632 (10)0.02937 (14)0.0157 (6)
C1380.2424 (3)0.56014 (12)0.08687 (15)0.0197 (7)
H13A0.22020.57480.12260.030*
H13B0.32200.56520.08510.030*
H13C0.22930.52990.09060.030*
C1390.2285 (2)0.60097 (10)0.01585 (14)0.0162 (6)
C1400.3846 (3)0.61961 (14)0.05631 (18)0.0346 (9)
H1400.46360.61950.05520.041*
C1410.3205 (3)0.63988 (13)0.10371 (18)0.0310 (8)
H1410.35660.65190.13540.037*
C1420.1638 (3)0.62441 (11)0.06249 (14)0.0182 (6)
H1420.08540.62670.06190.022*
C1430.2710 (3)0.57430 (14)0.01568 (17)0.0388 (10)
H14A0.30900.54750.00870.047*
H14B0.29240.58250.05930.047*
C1440.3074 (4)0.60825 (19)0.0264 (2)0.0759 (19)
H14C0.38870.61190.01790.114*
H14D0.27040.63480.01890.114*
H14E0.28630.59990.06950.114*
C1450.2137 (2)0.39298 (10)0.17381 (13)0.0212 (6)
C1460.3248 (3)0.38613 (9)0.18182 (14)0.0252 (6)
H1460.37670.37600.14850.030*
C1470.3604 (3)0.39411 (10)0.23859 (16)0.0330 (7)
H1470.43620.38950.24390.040*
C1480.2845 (3)0.40885 (11)0.28712 (16)0.0382 (8)
H1480.30820.41370.32610.046*
C1490.1737 (4)0.41671 (13)0.27939 (16)0.0335 (8)
H1490.12230.42700.31290.040*
C1500.1386 (3)0.40949 (11)0.22258 (16)0.0278 (7)
H1500.06380.41570.21670.033*
C1510.2832 (2)0.37740 (10)0.04449 (14)0.0195 (6)
C1520.3356 (2)0.41434 (9)0.02134 (13)0.0217 (6)
H1520.30620.44070.03600.026*
C1530.4306 (3)0.41300 (11)0.02306 (15)0.0274 (7)
H1530.46570.43840.03800.033*
C1540.4739 (3)0.37496 (11)0.04535 (15)0.0297 (7)
H1540.53880.37410.07540.036*
C1550.4219 (3)0.33781 (11)0.02347 (15)0.0325 (7)
H1550.45100.31150.03880.039*
C1560.3271 (3)0.33913 (10)0.02085 (14)0.0265 (6)
H1560.29170.31360.03520.032*
C1570.1113 (2)0.32737 (10)0.11259 (14)0.0170 (6)
C1580.1672 (2)0.29837 (9)0.14576 (13)0.0229 (6)
H1580.22680.30750.16660.027*
C1590.1352 (2)0.25615 (9)0.14803 (14)0.0240 (6)
H1590.17410.23650.16980.029*
C1600.0466 (3)0.24285 (10)0.11850 (14)0.0236 (6)
H1600.02580.21400.11940.028*
C1610.0111 (2)0.27170 (10)0.08788 (14)0.0258 (6)
H1610.07290.26270.06870.031*
C1620.0205 (2)0.31398 (9)0.08476 (14)0.0224 (6)
H1620.01990.33360.06370.027*
C1630.1388 (3)0.46079 (10)0.04771 (14)0.0187 (6)
C1640.2273 (3)0.46542 (10)0.00002 (14)0.0219 (6)
H1640.22010.45460.03970.026*
C1650.3260 (3)0.48554 (12)0.00943 (16)0.0249 (7)
H1650.38630.48780.02320.030*
C1660.3354 (3)0.50225 (12)0.06692 (16)0.0257 (7)
H1660.40220.51620.07360.031*
C1670.2474 (3)0.49856 (11)0.11457 (15)0.0242 (7)
H1670.25400.51020.15380.029*
C1680.1494 (3)0.47781 (11)0.10522 (15)0.0209 (6)
H1680.08960.47530.13810.025*
C1690.0499 (3)0.37773 (10)0.04887 (14)0.0304 (7)
C1700.0360 (4)0.34958 (11)0.07160 (16)0.0453 (10)
H1700.11120.35910.08040.054*
C1710.0100 (5)0.30719 (12)0.08127 (18)0.0650 (15)
H1710.06720.28830.09810.078*
C1720.0998 (5)0.29289 (13)0.06615 (19)0.0625 (15)
H1720.11680.26410.07140.075*
C1730.1832 (4)0.32030 (12)0.04381 (19)0.0507 (11)
H1730.25800.31050.03430.061*
C1740.1590 (4)0.36288 (11)0.03481 (16)0.0367 (9)
H1740.21740.38160.01910.044*
C1750.0980 (3)0.44532 (11)0.09379 (13)0.0245 (7)
C1760.1838 (3)0.47031 (11)0.07890 (14)0.0286 (7)
H1760.18090.48070.03810.034*
C1770.2757 (3)0.48059 (11)0.12342 (15)0.0324 (7)
H1770.33360.49820.11290.039*
C1780.2808 (3)0.46484 (11)0.18230 (14)0.0312 (7)
H1780.34350.47090.21230.037*
C1790.1953 (3)0.44043 (11)0.19746 (14)0.0295 (7)
H1790.19870.43020.23840.035*
C1800.1033 (3)0.43022 (11)0.15419 (14)0.0302 (7)
H1800.04480.41320.16550.036*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ag10.01779 (9)0.01646 (10)0.01339 (9)0.00323 (8)0.00165 (7)0.00037 (8)
Cl10.0175 (3)0.0188 (4)0.0146 (3)0.0009 (3)0.0022 (3)0.0005 (3)
N10.0170 (11)0.0185 (14)0.0177 (13)0.0021 (10)0.0020 (10)0.0071 (11)
N20.0189 (12)0.0146 (13)0.0182 (13)0.0016 (10)0.0030 (11)0.0031 (11)
N30.0180 (11)0.0188 (13)0.0189 (13)0.0015 (10)0.0033 (10)0.0044 (11)
N40.0160 (12)0.0261 (15)0.0267 (14)0.0014 (10)0.0008 (11)0.0082 (12)
N50.0227 (12)0.0221 (14)0.0207 (13)0.0002 (11)0.0043 (11)0.0037 (11)
P10.0162 (3)0.0129 (4)0.0157 (3)0.0015 (3)0.0027 (3)0.0005 (3)
P20.0239 (3)0.0173 (4)0.0134 (3)0.0028 (3)0.0047 (3)0.0016 (3)
S10.0149 (3)0.0186 (3)0.0161 (3)0.0003 (3)0.0040 (3)0.0017 (3)
C10.0181 (13)0.0131 (13)0.0129 (13)0.0019 (10)0.0022 (11)0.0010 (11)
C20.0158 (12)0.0159 (15)0.0157 (14)0.0009 (11)0.0009 (11)0.0007 (11)
C30.0216 (15)0.0210 (17)0.0220 (16)0.0021 (13)0.0007 (13)0.0021 (14)
C40.0151 (12)0.0137 (14)0.0199 (14)0.0012 (10)0.0027 (11)0.0017 (11)
C50.0170 (14)0.0338 (18)0.0315 (18)0.0025 (13)0.0020 (13)0.0143 (15)
C60.0223 (14)0.0251 (16)0.0238 (16)0.0025 (12)0.0039 (12)0.0090 (13)
C70.0178 (13)0.0179 (15)0.0188 (15)0.0019 (12)0.0021 (12)0.0017 (12)
C80.0163 (13)0.0357 (17)0.0212 (14)0.0064 (12)0.0018 (11)0.0073 (13)
C90.0327 (17)0.049 (2)0.0318 (18)0.0251 (16)0.0083 (14)0.0037 (16)
C100.0194 (13)0.0148 (14)0.0144 (13)0.0006 (10)0.0008 (10)0.0001 (11)
C110.0211 (13)0.0227 (14)0.0177 (13)0.0011 (11)0.0024 (11)0.0014 (11)
C120.0239 (14)0.0249 (15)0.0199 (14)0.0057 (11)0.0011 (11)0.0011 (11)
C130.0319 (16)0.0192 (15)0.0216 (15)0.0076 (12)0.0014 (12)0.0014 (12)
C140.0322 (15)0.0191 (14)0.0263 (15)0.0031 (12)0.0043 (12)0.0040 (12)
C150.0234 (13)0.0211 (14)0.0240 (14)0.0000 (11)0.0062 (11)0.0002 (12)
C160.0238 (13)0.0117 (13)0.0202 (14)0.0026 (10)0.0078 (11)0.0018 (11)
C170.0290 (15)0.0228 (14)0.0252 (15)0.0012 (12)0.0061 (12)0.0026 (12)
C180.0385 (18)0.0292 (17)0.0337 (18)0.0024 (14)0.0202 (15)0.0028 (14)
C190.062 (2)0.0206 (15)0.0308 (18)0.0096 (16)0.0247 (17)0.0053 (13)
C200.052 (2)0.045 (2)0.0203 (17)0.0109 (18)0.0056 (16)0.0058 (16)
C210.0311 (16)0.045 (2)0.0185 (15)0.0074 (15)0.0041 (13)0.0009 (15)
C220.0177 (12)0.0222 (14)0.0163 (13)0.0036 (11)0.0025 (10)0.0004 (11)
C230.0335 (16)0.0195 (14)0.0278 (16)0.0002 (12)0.0097 (13)0.0017 (12)
C240.0394 (18)0.0255 (16)0.0344 (18)0.0061 (14)0.0158 (14)0.0023 (14)
C250.0253 (15)0.0385 (19)0.0270 (17)0.0040 (14)0.0068 (12)0.0057 (14)
C260.0284 (15)0.0246 (16)0.0280 (17)0.0037 (13)0.0012 (13)0.0007 (13)
C270.0210 (13)0.0223 (14)0.0273 (16)0.0000 (11)0.0019 (12)0.0038 (12)
C280.0223 (13)0.0150 (14)0.0189 (14)0.0012 (11)0.0067 (11)0.0008 (11)
C290.0203 (14)0.0238 (16)0.0173 (14)0.0022 (12)0.0045 (11)0.0000 (12)
C300.0248 (14)0.0258 (16)0.0205 (14)0.0007 (12)0.0085 (12)0.0039 (12)
C310.0210 (14)0.0283 (17)0.0251 (16)0.0001 (13)0.0077 (13)0.0014 (13)
C320.0227 (15)0.0327 (19)0.0222 (16)0.0005 (13)0.0021 (13)0.0006 (14)
C330.0280 (15)0.0209 (15)0.0195 (14)0.0033 (12)0.0036 (12)0.0023 (12)
C340.0284 (14)0.0210 (16)0.0136 (12)0.0077 (12)0.0031 (10)0.0033 (11)
C350.0302 (15)0.0346 (17)0.0139 (13)0.0010 (13)0.0010 (12)0.0062 (12)
C360.0292 (16)0.046 (2)0.0228 (16)0.0017 (15)0.0006 (13)0.0036 (15)
C370.0366 (17)0.0274 (16)0.0182 (14)0.0045 (13)0.0022 (13)0.0033 (12)
C380.0416 (17)0.0234 (15)0.0117 (12)0.0056 (14)0.0011 (11)0.0019 (12)
C390.0340 (15)0.0231 (15)0.0135 (12)0.0002 (12)0.0040 (11)0.0006 (11)
C400.0419 (17)0.0172 (14)0.0164 (14)0.0029 (12)0.0080 (13)0.0026 (11)
C410.0439 (19)0.0209 (16)0.0247 (17)0.0061 (14)0.0010 (14)0.0021 (13)
C420.058 (2)0.0249 (18)0.0312 (19)0.0120 (16)0.0024 (16)0.0002 (15)
C430.087 (3)0.0208 (17)0.036 (2)0.0072 (19)0.010 (2)0.0055 (16)
C440.081 (3)0.0213 (17)0.040 (2)0.0112 (18)0.003 (2)0.0015 (16)
C450.0469 (19)0.0273 (16)0.0301 (17)0.0072 (15)0.0009 (15)0.0011 (14)
Ag20.01437 (9)0.01432 (10)0.01253 (10)0.00230 (8)0.00178 (7)0.00075 (8)
Cl20.0160 (3)0.0171 (3)0.0142 (3)0.0014 (3)0.0021 (2)0.0004 (3)
N60.0168 (11)0.0171 (13)0.0149 (12)0.0008 (10)0.0014 (10)0.0046 (10)
N70.0173 (11)0.0145 (13)0.0171 (13)0.0021 (10)0.0040 (10)0.0014 (10)
N80.0177 (11)0.0178 (12)0.0185 (12)0.0010 (10)0.0022 (10)0.0054 (10)
N90.0174 (11)0.0211 (13)0.0245 (14)0.0025 (10)0.0024 (10)0.0042 (11)
N100.0246 (13)0.0214 (14)0.0199 (13)0.0051 (11)0.0053 (11)0.0022 (11)
P30.0139 (3)0.0138 (4)0.0148 (3)0.0011 (3)0.0029 (3)0.0005 (3)
P40.0161 (3)0.0169 (4)0.0121 (3)0.0012 (3)0.0035 (2)0.0012 (3)
S20.0127 (3)0.0180 (3)0.0184 (3)0.0007 (2)0.0035 (3)0.0040 (3)
C460.0157 (12)0.0131 (13)0.0145 (13)0.0018 (10)0.0023 (11)0.0000 (11)
C470.0175 (13)0.0165 (15)0.0122 (13)0.0009 (11)0.0003 (11)0.0006 (11)
C480.0168 (13)0.0191 (16)0.0198 (15)0.0027 (12)0.0002 (12)0.0023 (13)
C490.0159 (12)0.0125 (13)0.0188 (14)0.0007 (10)0.0030 (11)0.0000 (11)
C500.0201 (14)0.0274 (17)0.0313 (18)0.0031 (13)0.0058 (13)0.0062 (14)
C510.0247 (15)0.0238 (16)0.0221 (15)0.0041 (12)0.0055 (12)0.0066 (13)
C520.0191 (13)0.0184 (15)0.0179 (14)0.0038 (12)0.0017 (11)0.0011 (12)
C530.0164 (12)0.0296 (16)0.0217 (14)0.0039 (11)0.0003 (11)0.0046 (12)
C540.0277 (16)0.040 (2)0.0324 (18)0.0145 (14)0.0041 (14)0.0004 (15)
C550.0143 (12)0.0169 (14)0.0207 (14)0.0003 (10)0.0014 (10)0.0008 (11)
C560.0217 (14)0.0298 (16)0.0229 (15)0.0001 (12)0.0038 (11)0.0046 (13)
C570.0219 (14)0.0407 (19)0.0186 (14)0.0027 (13)0.0011 (11)0.0027 (13)
C580.0183 (13)0.0361 (18)0.0240 (15)0.0009 (13)0.0018 (12)0.0029 (13)
C590.0165 (13)0.0364 (18)0.0302 (16)0.0010 (12)0.0060 (12)0.0013 (14)
C600.0198 (13)0.0268 (15)0.0191 (13)0.0020 (11)0.0043 (10)0.0015 (12)
C610.0167 (12)0.0173 (14)0.0143 (12)0.0003 (10)0.0073 (10)0.0029 (11)
C620.0166 (12)0.0177 (13)0.0203 (13)0.0003 (10)0.0037 (10)0.0013 (10)
C630.0217 (14)0.0197 (14)0.0230 (14)0.0044 (11)0.0036 (11)0.0030 (11)
C640.0277 (14)0.0182 (14)0.0190 (14)0.0042 (12)0.0084 (12)0.0024 (12)
C650.0229 (13)0.0219 (14)0.0189 (13)0.0064 (11)0.0043 (11)0.0027 (11)
C660.0200 (13)0.0206 (13)0.0170 (13)0.0006 (10)0.0023 (10)0.0004 (11)
C670.0186 (13)0.0178 (14)0.0178 (13)0.0008 (11)0.0068 (11)0.0000 (11)
C680.0224 (13)0.0250 (15)0.0217 (14)0.0023 (11)0.0031 (11)0.0025 (12)
C690.0245 (14)0.0316 (16)0.0209 (14)0.0002 (12)0.0066 (11)0.0077 (12)
C700.0361 (17)0.0336 (18)0.0204 (15)0.0071 (14)0.0092 (13)0.0000 (13)
C710.047 (2)0.0216 (16)0.0229 (16)0.0007 (14)0.0095 (15)0.0050 (13)
C720.0305 (15)0.0185 (15)0.0183 (14)0.0003 (12)0.0048 (12)0.0028 (11)
C730.0185 (12)0.0151 (13)0.0159 (13)0.0002 (10)0.0042 (10)0.0016 (11)
C740.0226 (14)0.0252 (16)0.0145 (13)0.0031 (12)0.0006 (11)0.0004 (12)
C750.0210 (14)0.0313 (18)0.0203 (15)0.0046 (13)0.0010 (12)0.0022 (13)
C760.0206 (14)0.0257 (16)0.0236 (15)0.0046 (12)0.0068 (12)0.0017 (13)
C770.0241 (14)0.0232 (15)0.0194 (14)0.0026 (12)0.0076 (12)0.0033 (12)
C780.0167 (12)0.0225 (15)0.0150 (13)0.0004 (11)0.0029 (10)0.0020 (11)
C790.0217 (13)0.0179 (13)0.0140 (12)0.0027 (11)0.0007 (10)0.0010 (10)
C800.0250 (14)0.0251 (16)0.0201 (14)0.0030 (12)0.0009 (11)0.0009 (12)
C810.0266 (15)0.0302 (17)0.0316 (17)0.0097 (13)0.0027 (13)0.0051 (14)
C820.055 (2)0.0216 (16)0.0242 (16)0.0104 (15)0.0056 (15)0.0041 (13)
C830.053 (2)0.0186 (15)0.0311 (17)0.0067 (14)0.0128 (16)0.0019 (13)
C840.0323 (16)0.0197 (14)0.0281 (16)0.0016 (12)0.0119 (13)0.0034 (12)
C850.0199 (12)0.0189 (13)0.0113 (11)0.0065 (11)0.0013 (9)0.0004 (10)
C860.0267 (14)0.0200 (14)0.0144 (13)0.0018 (12)0.0014 (11)0.0011 (11)
C870.0276 (15)0.0234 (15)0.0222 (15)0.0021 (12)0.0013 (12)0.0046 (12)
C880.0253 (15)0.0383 (19)0.0202 (15)0.0105 (14)0.0038 (12)0.0117 (13)
C890.0340 (16)0.0348 (17)0.0140 (13)0.0083 (13)0.0017 (12)0.0052 (12)
C900.0229 (14)0.0332 (16)0.0175 (13)0.0056 (12)0.0060 (11)0.0053 (12)
Ag30.01369 (9)0.01420 (12)0.01306 (9)0.00204 (8)0.00143 (7)0.00095 (8)
Cl30.0163 (3)0.0168 (3)0.0146 (3)0.0025 (3)0.0019 (3)0.0001 (3)
N110.0162 (11)0.0147 (12)0.0159 (12)0.0026 (9)0.0015 (10)0.0030 (10)
N120.0153 (11)0.0168 (13)0.0170 (12)0.0005 (10)0.0027 (10)0.0012 (11)
N130.0148 (11)0.0179 (13)0.0195 (13)0.0023 (9)0.0018 (10)0.0052 (10)
N140.0162 (11)0.0238 (15)0.0269 (15)0.0017 (10)0.0018 (11)0.0066 (12)
N150.0203 (12)0.0250 (15)0.0177 (13)0.0005 (10)0.0009 (10)0.0048 (11)
P50.0130 (3)0.0142 (4)0.0153 (3)0.0018 (3)0.0025 (3)0.0001 (3)
P60.0151 (3)0.0165 (4)0.0125 (3)0.0019 (3)0.0028 (2)0.0012 (3)
S30.0148 (3)0.0170 (4)0.0196 (4)0.0010 (3)0.0042 (3)0.0038 (3)
C910.0148 (12)0.0154 (14)0.0167 (14)0.0001 (11)0.0046 (11)0.0021 (11)
C920.0189 (13)0.0110 (13)0.0180 (14)0.0029 (11)0.0032 (11)0.0003 (11)
C930.0203 (14)0.0250 (18)0.0215 (16)0.0033 (13)0.0023 (13)0.0100 (14)
C940.0180 (13)0.0150 (14)0.0142 (13)0.0015 (11)0.0012 (11)0.0022 (11)
C950.0177 (14)0.0287 (18)0.0324 (18)0.0020 (13)0.0006 (13)0.0110 (15)
C960.0195 (14)0.0270 (18)0.0270 (17)0.0009 (12)0.0074 (13)0.0054 (14)
C970.0175 (13)0.0194 (15)0.0163 (14)0.0007 (11)0.0004 (11)0.0009 (12)
C980.0186 (13)0.0244 (16)0.0204 (14)0.0041 (11)0.0010 (11)0.0048 (12)
C990.0298 (17)0.044 (2)0.040 (2)0.0198 (16)0.0078 (15)0.0089 (18)
C1000.0196 (13)0.0171 (13)0.0157 (13)0.0030 (11)0.0045 (11)0.0002 (11)
C1010.0215 (13)0.0232 (14)0.0216 (14)0.0022 (11)0.0046 (11)0.0001 (11)
C1020.0215 (14)0.0344 (17)0.0227 (15)0.0004 (12)0.0074 (11)0.0077 (13)
C1030.0374 (17)0.0312 (17)0.0184 (14)0.0066 (14)0.0126 (13)0.0015 (12)
C1040.051 (2)0.0247 (17)0.0219 (16)0.0029 (15)0.0095 (15)0.0040 (13)
C1050.0341 (16)0.0200 (15)0.0218 (15)0.0058 (12)0.0092 (13)0.0006 (12)
C1060.0164 (12)0.0141 (13)0.0168 (13)0.0002 (10)0.0060 (10)0.0014 (11)
C1070.0208 (13)0.0232 (14)0.0162 (13)0.0006 (11)0.0011 (10)0.0013 (11)
C1080.0235 (13)0.0264 (15)0.0179 (13)0.0039 (12)0.0012 (11)0.0026 (12)
C1090.0306 (15)0.0140 (13)0.0218 (14)0.0032 (12)0.0115 (12)0.0012 (11)
C1100.0241 (13)0.0162 (13)0.0197 (13)0.0005 (11)0.0077 (11)0.0023 (11)
C1110.0162 (12)0.0198 (13)0.0195 (13)0.0011 (10)0.0030 (10)0.0023 (11)
C1120.0145 (11)0.0156 (13)0.0190 (13)0.0010 (10)0.0004 (10)0.0000 (10)
C1130.0179 (12)0.0217 (13)0.0229 (14)0.0012 (11)0.0045 (10)0.0050 (11)
C1140.0154 (13)0.0308 (16)0.0292 (15)0.0008 (11)0.0048 (11)0.0032 (13)
C1150.0198 (14)0.0330 (17)0.0260 (16)0.0016 (12)0.0028 (12)0.0003 (13)
C1160.0261 (15)0.0401 (19)0.0186 (14)0.0029 (14)0.0011 (12)0.0042 (13)
C1170.0163 (13)0.0332 (16)0.0210 (14)0.0032 (12)0.0024 (11)0.0026 (12)
C1180.0164 (12)0.0185 (14)0.0165 (13)0.0009 (11)0.0038 (10)0.0046 (11)
C1190.0233 (14)0.0226 (16)0.0164 (14)0.0038 (12)0.0037 (11)0.0018 (12)
C1200.0211 (14)0.0270 (17)0.0193 (15)0.0048 (12)0.0000 (12)0.0007 (13)
C1210.0180 (13)0.0238 (16)0.0254 (16)0.0052 (12)0.0060 (12)0.0024 (13)
C1220.0219 (14)0.0235 (16)0.0212 (15)0.0033 (12)0.0056 (12)0.0023 (12)
C1230.0172 (13)0.0185 (15)0.0192 (14)0.0014 (11)0.0031 (11)0.0010 (11)
C1240.0169 (11)0.0207 (14)0.0142 (11)0.0069 (11)0.0033 (9)0.0006 (11)
C1250.0194 (13)0.0315 (16)0.0168 (13)0.0005 (11)0.0008 (10)0.0035 (12)
C1260.0296 (15)0.0371 (17)0.0165 (13)0.0058 (13)0.0007 (11)0.0037 (12)
C1270.0262 (14)0.0346 (18)0.0165 (13)0.0097 (13)0.0053 (11)0.0073 (13)
C1280.0244 (14)0.0298 (16)0.0255 (16)0.0001 (13)0.0022 (12)0.0082 (13)
C1290.0281 (15)0.0206 (15)0.0175 (14)0.0001 (12)0.0003 (12)0.0005 (11)
C1300.0249 (14)0.0187 (14)0.0127 (12)0.0008 (11)0.0042 (11)0.0021 (11)
C1310.0208 (14)0.0238 (16)0.0269 (16)0.0015 (12)0.0003 (12)0.0045 (13)
C1320.0346 (18)0.034 (2)0.0329 (19)0.0137 (15)0.0011 (15)0.0061 (15)
C1330.052 (2)0.0227 (16)0.0290 (18)0.0115 (15)0.0079 (16)0.0024 (14)
C1340.055 (2)0.0170 (14)0.0257 (16)0.0024 (14)0.0108 (15)0.0011 (12)
C1350.0345 (16)0.0216 (14)0.0214 (14)0.0052 (12)0.0074 (12)0.0013 (12)
Ag40.02132 (10)0.01748 (13)0.01248 (10)0.00586 (9)0.00067 (8)0.00058 (8)
Cl40.0177 (3)0.0165 (3)0.0150 (3)0.0013 (3)0.0017 (2)0.0006 (3)
N160.0125 (11)0.0154 (13)0.0188 (13)0.0024 (9)0.0018 (10)0.0033 (10)
N170.0164 (11)0.0153 (13)0.0148 (12)0.0001 (10)0.0029 (10)0.0010 (10)
N180.0154 (11)0.0245 (14)0.0176 (12)0.0005 (10)0.0022 (10)0.0051 (11)
N190.0164 (12)0.0342 (16)0.0237 (14)0.0041 (11)0.0024 (11)0.0047 (12)
N200.0252 (13)0.0274 (15)0.0175 (13)0.0065 (11)0.0001 (11)0.0032 (11)
P70.0158 (3)0.0142 (4)0.0147 (3)0.0013 (3)0.0029 (3)0.0003 (3)
P80.0333 (4)0.0179 (4)0.0114 (3)0.0063 (3)0.0035 (3)0.0004 (3)
S40.0154 (3)0.0226 (4)0.0156 (3)0.0037 (3)0.0024 (3)0.0026 (3)
C1360.0156 (12)0.0177 (14)0.0148 (13)0.0000 (11)0.0023 (11)0.0020 (11)
C1370.0165 (13)0.0138 (14)0.0167 (14)0.0014 (11)0.0022 (11)0.0002 (11)
C1380.0172 (13)0.0221 (17)0.0186 (15)0.0034 (12)0.0015 (12)0.0037 (13)
C1390.0182 (13)0.0167 (14)0.0137 (13)0.0017 (11)0.0017 (11)0.0029 (11)
C1400.0189 (15)0.056 (3)0.0295 (18)0.0103 (15)0.0058 (14)0.0049 (17)
C1410.0245 (16)0.043 (2)0.0264 (17)0.0117 (15)0.0076 (14)0.0044 (15)
C1420.0179 (13)0.0202 (16)0.0163 (14)0.0042 (12)0.0012 (11)0.0020 (12)
C1430.0184 (14)0.068 (3)0.0289 (18)0.0080 (16)0.0013 (13)0.0262 (18)
C1440.054 (3)0.141 (5)0.035 (2)0.068 (3)0.013 (2)0.009 (3)
C1450.0284 (15)0.0180 (15)0.0186 (14)0.0018 (11)0.0075 (12)0.0017 (11)
C1460.0303 (15)0.0194 (14)0.0280 (15)0.0043 (12)0.0113 (12)0.0035 (12)
C1470.0444 (19)0.0216 (15)0.0378 (18)0.0027 (14)0.0225 (16)0.0033 (13)
C1480.068 (2)0.0283 (18)0.0233 (16)0.0047 (17)0.0242 (17)0.0056 (14)
C1490.054 (2)0.0306 (18)0.0165 (15)0.0041 (16)0.0069 (15)0.0040 (13)
C1500.0311 (16)0.0317 (18)0.0206 (15)0.0050 (13)0.0034 (13)0.0019 (13)
C1510.0183 (12)0.0213 (15)0.0189 (14)0.0028 (11)0.0030 (10)0.0032 (12)
C1520.0218 (13)0.0204 (14)0.0233 (14)0.0030 (11)0.0043 (11)0.0012 (11)
C1530.0237 (15)0.0301 (17)0.0273 (16)0.0052 (13)0.0005 (12)0.0046 (13)
C1540.0232 (14)0.0369 (18)0.0264 (16)0.0040 (13)0.0053 (12)0.0020 (14)
C1550.0368 (17)0.0284 (16)0.0295 (17)0.0066 (14)0.0060 (14)0.0018 (13)
C1560.0303 (15)0.0227 (15)0.0239 (15)0.0021 (12)0.0052 (12)0.0012 (12)
C1570.0162 (12)0.0156 (14)0.0187 (14)0.0011 (10)0.0008 (10)0.0022 (11)
C1580.0233 (13)0.0212 (14)0.0242 (14)0.0002 (11)0.0035 (11)0.0054 (12)
C1590.0251 (14)0.0199 (14)0.0266 (15)0.0008 (11)0.0023 (11)0.0058 (12)
C1600.0293 (15)0.0194 (14)0.0206 (14)0.0054 (12)0.0020 (12)0.0015 (12)
C1610.0254 (14)0.0298 (16)0.0219 (15)0.0047 (12)0.0025 (11)0.0027 (12)
C1620.0226 (13)0.0210 (14)0.0234 (15)0.0021 (11)0.0032 (11)0.0001 (11)
C1630.0274 (14)0.0168 (14)0.0130 (13)0.0014 (11)0.0065 (11)0.0003 (11)
C1640.0319 (15)0.0202 (15)0.0146 (13)0.0003 (12)0.0065 (12)0.0005 (11)
C1650.0299 (16)0.0259 (17)0.0193 (15)0.0032 (13)0.0047 (13)0.0026 (12)
C1660.0218 (14)0.0315 (18)0.0251 (16)0.0043 (13)0.0074 (13)0.0025 (14)
C1670.0271 (15)0.0273 (16)0.0196 (14)0.0047 (13)0.0079 (12)0.0063 (13)
C1680.0259 (15)0.0194 (15)0.0182 (14)0.0022 (12)0.0057 (12)0.0044 (12)
C1690.058 (2)0.0185 (14)0.0149 (14)0.0035 (15)0.0044 (14)0.0015 (12)
C1700.077 (3)0.0235 (16)0.0295 (18)0.0127 (17)0.0135 (18)0.0062 (14)
C1710.134 (4)0.0237 (18)0.029 (2)0.019 (2)0.018 (2)0.0024 (15)
C1720.133 (5)0.0194 (18)0.033 (2)0.002 (2)0.002 (3)0.0023 (16)
C1730.091 (3)0.0270 (19)0.038 (2)0.015 (2)0.022 (2)0.0006 (16)
C1740.068 (3)0.0170 (15)0.0266 (17)0.0010 (16)0.0137 (17)0.0021 (13)
C1750.0344 (15)0.0246 (16)0.0137 (12)0.0121 (14)0.0004 (11)0.0028 (12)
C1760.0351 (17)0.0351 (18)0.0154 (14)0.0094 (14)0.0037 (12)0.0015 (13)
C1770.0383 (18)0.0376 (18)0.0202 (15)0.0051 (15)0.0000 (13)0.0003 (13)
C1780.0386 (18)0.0322 (18)0.0198 (15)0.0118 (14)0.0064 (13)0.0040 (13)
C1790.0510 (19)0.0249 (17)0.0105 (12)0.0118 (15)0.0027 (12)0.0007 (12)
C1800.0490 (19)0.0231 (15)0.0182 (14)0.0037 (14)0.0034 (13)0.0022 (12)
Geometric parameters (Å, º) top
Ag1—P12.4727 (8)Ag3—P52.4862 (8)
Ag1—P22.4877 (8)Ag3—P62.4869 (8)
Ag1—Cl12.5905 (8)Ag3—Cl32.5900 (8)
Ag1—S12.7192 (9)Ag3—S32.6816 (8)
N1—N21.359 (3)N11—C911.366 (4)
N1—C11.361 (4)N11—N121.384 (4)
N1—H1N0.875 (17)N11—H11N0.882 (17)
N2—C21.289 (4)N12—C921.296 (4)
N3—C11.328 (4)N13—C911.329 (4)
N3—C81.468 (4)N13—C981.463 (4)
N3—H3N0.871 (17)N13—H13N0.878 (17)
N4—C51.328 (4)N14—C941.338 (4)
N4—C41.345 (4)N14—C951.348 (4)
N5—C71.325 (4)N15—C971.335 (4)
N5—C61.339 (4)N15—C961.340 (4)
P1—C161.821 (3)P5—C1061.824 (3)
P1—C101.835 (3)P5—C1121.825 (3)
P1—C221.838 (3)P5—C1001.833 (3)
P2—C341.822 (3)P6—C1301.829 (3)
P2—C281.824 (3)P6—C1181.830 (3)
P2—C401.842 (3)P6—C1241.831 (3)
S1—C11.707 (3)S3—C911.700 (3)
C2—C41.483 (4)C92—C941.486 (4)
C2—C31.501 (5)C92—C931.493 (5)
C3—H3A0.9800C93—H93A0.9800
C3—H3B0.9800C93—H93B0.9800
C3—H3C0.9800C93—H93C0.9800
C4—C71.400 (4)C94—C971.406 (4)
C5—C61.391 (5)C95—C961.373 (5)
C5—H50.9500C95—H950.9500
C6—H60.9500C96—H960.9500
C7—H70.9500C97—H970.9500
C8—C91.494 (5)C98—C991.512 (5)
C8—H8A0.9900C98—H98A0.9900
C8—H8B0.9900C98—H98B0.9900
C9—H9A0.9800C99—H99A0.9800
C9—H9B0.9800C99—H99B0.9800
C9—H9C0.9800C99—H99C0.9800
C10—C151.389 (4)C100—C1051.392 (4)
C10—C111.398 (4)C100—C1011.405 (4)
C11—C121.399 (4)C101—C1021.391 (4)
C11—H110.9500C101—H1010.9500
C12—C131.377 (4)C102—C1031.388 (4)
C12—H120.9500C102—H1020.9500
C13—C141.386 (4)C103—C1041.387 (5)
C13—H130.9500C103—H1030.9500
C14—C151.393 (4)C104—C1051.392 (4)
C14—H140.9500C104—H1040.9500
C15—H150.9500C105—H1050.9500
C16—C211.389 (4)C106—C1071.393 (4)
C16—C171.394 (4)C106—C1111.403 (4)
C17—C181.389 (4)C107—C1081.392 (4)
C17—H170.9500C107—H1070.9500
C18—C191.393 (5)C108—C1091.383 (4)
C18—H180.9500C108—H1080.9500
C19—C201.373 (5)C109—C1101.401 (4)
C19—H190.9500C109—H1090.9500
C20—C211.396 (5)C110—C1111.392 (4)
C20—H200.9500C110—H1100.9500
C21—H210.9500C111—H1110.9500
C22—C271.390 (4)C112—C1171.392 (4)
C22—C231.396 (4)C112—C1131.395 (4)
C23—C241.400 (4)C113—C1141.401 (4)
C23—H230.9500C113—H1130.9500
C24—C251.379 (5)C114—C1151.379 (4)
C24—H240.9500C114—H1140.9500
C25—C261.377 (5)C115—C1161.377 (4)
C25—H250.9500C115—H1150.9500
C26—C271.396 (4)C116—C1171.392 (4)
C26—H260.9500C116—H1160.9500
C27—H270.9500C117—H1170.9500
C28—C291.399 (4)C118—C1231.391 (4)
C28—C331.404 (5)C118—C1191.395 (4)
C29—C301.394 (4)C119—C1201.398 (4)
C29—H290.9500C119—H1190.9500
C30—C311.381 (5)C120—C1211.392 (5)
C30—H300.9500C120—H1200.9500
C31—C321.384 (5)C121—C1221.390 (5)
C31—H310.9500C121—H1210.9500
C32—C331.393 (5)C122—C1231.397 (4)
C32—H320.9500C122—H1220.9500
C33—H330.9500C123—H1230.9500
C34—C351.385 (4)C124—C1251.383 (4)
C34—C391.409 (4)C124—C1291.388 (4)
C35—C361.393 (5)C125—C1261.388 (3)
C35—H350.9500C125—H1250.9500
C36—C371.371 (4)C126—C1271.382 (4)
C36—H360.9500C126—H1260.9500
C37—C381.387 (5)C127—C1281.379 (4)
C37—H370.9500C127—H1270.9500
C38—C391.386 (4)C128—C1291.395 (4)
C38—H380.9500C128—H1280.9500
C39—H390.9500C129—H1290.9500
C40—C411.383 (5)C130—C1311.385 (4)
C40—C451.395 (5)C130—C1351.400 (4)
C41—C421.404 (5)C131—C1321.392 (5)
C41—H410.9500C131—H1310.9500
C42—C431.363 (6)C132—C1331.383 (5)
C42—H420.9500C132—H1320.9500
C43—C441.398 (6)C133—C1341.373 (5)
C43—H430.9500C133—H1330.9500
C44—C451.396 (5)C134—C1351.391 (4)
C44—H440.9500C134—H1340.9500
C45—H450.9500C135—H1350.9500
Ag2—P32.4858 (8)Ag4—P72.4784 (8)
Ag2—P42.4861 (8)Ag4—P82.4838 (8)
Ag2—Cl22.5932 (8)Ag4—Cl42.5901 (8)
Ag2—S22.6848 (8)Ag4—S42.7412 (9)
N6—N71.362 (3)N16—C1361.364 (4)
N6—C461.363 (4)N16—N171.387 (3)
N6—H6N0.877 (17)N16—H16N0.860 (17)
N7—C471.287 (4)N17—C1371.300 (4)
N8—C461.330 (4)N18—C1361.325 (4)
N8—C531.465 (4)N18—C1431.456 (4)
N8—H8N0.861 (17)N18—H18N0.860 (17)
N9—C501.337 (4)N19—C1391.339 (4)
N9—C491.347 (4)N19—C1401.343 (4)
N10—C521.328 (4)N20—C1421.336 (4)
N10—C511.343 (4)N20—C1411.344 (4)
P3—C611.833 (3)P7—C1451.823 (3)
P3—C551.834 (3)P7—C1571.826 (3)
P3—C671.838 (3)P7—C1511.832 (3)
P4—C851.822 (3)P8—C1631.825 (3)
P4—C731.824 (3)P8—C1691.825 (3)
P4—C791.835 (3)P8—C1751.840 (3)
S2—C461.703 (3)S4—C1361.705 (3)
C47—C491.482 (4)C137—C1391.482 (4)
C47—C481.503 (4)C137—C1381.494 (4)
C48—H48A0.9800C138—H13A0.9800
C48—H48B0.9800C138—H13B0.9800
C48—H48C0.9800C138—H13C0.9800
C49—C521.404 (4)C139—C1421.410 (5)
C50—C511.386 (5)C140—C1411.367 (5)
C50—H500.9500C140—H1400.9500
C51—H510.9500C141—H1410.9500
C52—H520.9500C142—H1420.9500
C53—C541.494 (4)C143—C1441.524 (6)
C53—H53A0.9900C143—H14A0.9900
C53—H53B0.9900C143—H14B0.9900
C54—H54A0.9800C144—H14C0.9800
C54—H54B0.9800C144—H14D0.9800
C54—H54C0.9800C144—H14E0.9800
C55—C561.383 (4)C145—C1461.393 (4)
C55—C601.396 (4)C145—C1501.403 (5)
C56—C571.382 (4)C146—C1471.395 (4)
C56—H560.9500C146—H1460.9500
C57—C581.375 (4)C147—C1481.385 (5)
C57—H570.9500C147—H1470.9500
C58—C591.398 (4)C148—C1491.392 (5)
C58—H580.9500C148—H1480.9500
C59—C601.389 (4)C149—C1501.389 (5)
C59—H590.9500C149—H1490.9500
C60—H600.9500C150—H1500.9500
C61—C661.389 (4)C151—C1521.396 (4)
C61—C621.397 (4)C151—C1561.398 (4)
C62—C631.397 (4)C152—C1531.397 (4)
C62—H620.9500C152—H1520.9500
C63—C641.396 (4)C153—C1541.380 (5)
C63—H630.9500C153—H1530.9500
C64—C651.371 (4)C154—C1551.391 (5)
C64—H640.9500C154—H1540.9500
C65—C661.393 (4)C155—C1561.394 (4)
C65—H650.9500C155—H1550.9500
C66—H660.9500C156—H1560.9500
C67—C721.387 (4)C157—C1621.393 (4)
C67—C681.393 (4)C157—C1581.404 (4)
C68—C691.399 (4)C158—C1591.397 (4)
C68—H680.9500C158—H1580.9500
C69—C701.389 (4)C159—C1601.391 (4)
C69—H690.9500C159—H1590.9500
C70—C711.380 (5)C160—C1611.381 (4)
C70—H700.9500C160—H1600.9500
C71—C721.393 (4)C161—C1621.397 (4)
C71—H710.9500C161—H1610.9500
C72—H720.9500C162—H1620.9500
C73—C741.401 (4)C163—C1641.393 (4)
C73—C781.401 (4)C163—C1681.394 (4)
C74—C751.392 (4)C164—C1651.392 (5)
C74—H740.9500C164—H1640.9500
C75—C761.384 (5)C165—C1661.387 (5)
C75—H750.9500C165—H1650.9500
C76—C771.385 (5)C166—C1671.386 (5)
C76—H760.9500C166—H1660.9500
C77—C781.392 (4)C167—C1681.395 (4)
C77—H770.9500C167—H1670.9500
C78—H780.9500C168—H1680.9500
C79—C801.391 (4)C169—C1741.392 (5)
C79—C841.399 (4)C169—C1701.407 (5)
C80—C811.405 (5)C170—C1711.407 (5)
C80—H800.9500C170—H1700.9500
C81—C821.374 (5)C171—C1721.396 (7)
C81—H810.9500C171—H1710.9500
C82—C831.386 (5)C172—C1731.369 (7)
C82—H820.9500C172—H1720.9500
C83—C841.388 (4)C173—C1741.405 (5)
C83—H830.9500C173—H1730.9500
C84—H840.9500C174—H1740.9500
C85—C901.397 (4)C175—C1761.380 (5)
C85—C861.400 (4)C175—C1801.401 (4)
C86—C871.391 (4)C176—C1771.409 (5)
C86—H860.9500C176—H1760.9500
C87—C881.373 (5)C177—C1781.378 (5)
C87—H870.9500C177—H1770.9500
C88—C891.379 (5)C178—C1791.369 (5)
C88—H880.9500C178—H1780.9500
C89—C901.391 (4)C179—C1801.394 (4)
C89—H890.9500C179—H1790.9500
C90—H900.9500C180—H1800.9500
P1—Ag1—P2115.46 (3)P5—Ag3—P6118.91 (3)
P1—Ag1—Cl1119.77 (3)P5—Ag3—Cl3119.36 (3)
P2—Ag1—Cl1116.02 (3)P6—Ag3—Cl3112.62 (2)
P1—Ag1—S199.69 (3)P5—Ag3—S397.41 (2)
P2—Ag1—S1112.46 (3)P6—Ag3—S3112.54 (3)
Cl1—Ag1—S187.76 (3)Cl3—Ag3—S390.32 (3)
N2—N1—C1119.0 (3)C91—N11—N12117.6 (3)
N2—N1—H1N121 (2)C91—N11—H11N118 (2)
C1—N1—H1N114 (2)N12—N11—H11N125 (2)
C2—N2—N1117.7 (3)C92—N12—N11116.9 (3)
C1—N3—C8123.4 (3)C91—N13—C98123.1 (3)
C1—N3—H3N117 (2)C91—N13—H13N122 (2)
C8—N3—H3N119 (2)C98—N13—H13N115 (2)
C5—N4—C4116.6 (3)C94—N14—C95116.0 (3)
C7—N5—C6116.3 (3)C97—N15—C96116.0 (3)
C16—P1—C10102.86 (13)C106—P5—C112103.53 (14)
C16—P1—C22104.30 (13)C106—P5—C100101.08 (13)
C10—P1—C22103.17 (14)C112—P5—C100106.26 (13)
C16—P1—Ag1113.27 (10)C106—P5—Ag3119.87 (9)
C10—P1—Ag1121.53 (10)C112—P5—Ag3106.84 (10)
C22—P1—Ag1110.00 (10)C100—P5—Ag3117.75 (10)
C34—P2—C28106.60 (14)C130—P6—C118103.54 (14)
C34—P2—C40103.49 (15)C130—P6—C124102.20 (14)
C28—P2—C40102.28 (15)C118—P6—C124103.33 (13)
C34—P2—Ag1112.92 (10)C130—P6—Ag3113.15 (9)
C28—P2—Ag1116.85 (11)C118—P6—Ag3117.96 (10)
C40—P2—Ag1113.34 (10)C124—P6—Ag3114.79 (9)
C1—S1—Ag199.81 (10)C91—S3—Ag3102.46 (10)
N3—C1—N1117.3 (3)N13—C91—N11117.4 (3)
N3—C1—S1123.6 (2)N13—C91—S3123.3 (2)
N1—C1—S1119.2 (2)N11—C91—S3119.3 (2)
N2—C2—C4115.1 (3)N12—C92—C94114.3 (3)
N2—C2—C3124.3 (3)N12—C92—C93125.3 (3)
C4—C2—C3120.6 (3)C94—C92—C93120.4 (3)
C2—C3—H3A109.5C92—C93—H93A109.5
C2—C3—H3B109.5C92—C93—H93B109.5
H3A—C3—H3B109.5H93A—C93—H93B109.5
C2—C3—H3C109.5C92—C93—H93C109.5
H3A—C3—H3C109.5H93A—C93—H93C109.5
H3B—C3—H3C109.5H93B—C93—H93C109.5
N4—C4—C7120.2 (3)N14—C94—C97121.0 (3)
N4—C4—C2118.3 (3)N14—C94—C92117.8 (3)
C7—C4—C2121.5 (3)C97—C94—C92121.3 (3)
N4—C5—C6122.7 (3)N14—C95—C96122.5 (3)
N4—C5—H5118.7N14—C95—H95118.7
C6—C5—H5118.7C96—C95—H95118.7
N5—C6—C5121.0 (3)N15—C96—C95122.0 (3)
N5—C6—H6119.5N15—C96—H96119.0
C5—C6—H6119.5C95—C96—H96119.0
N5—C7—C4123.0 (3)N15—C97—C94122.3 (3)
N5—C7—H7118.5N15—C97—H97118.9
C4—C7—H7118.5C94—C97—H97118.9
N3—C8—C9113.0 (3)N13—C98—C99111.9 (3)
N3—C8—H8A109.0N13—C98—H98A109.2
C9—C8—H8A109.0C99—C98—H98A109.2
N3—C8—H8B109.0N13—C98—H98B109.2
C9—C8—H8B109.0C99—C98—H98B109.2
H8A—C8—H8B107.8H98A—C98—H98B107.9
C8—C9—H9A109.5C98—C99—H99A109.5
C8—C9—H9B109.5C98—C99—H99B109.5
H9A—C9—H9B109.5H99A—C99—H99B109.5
C8—C9—H9C109.5C98—C99—H99C109.5
H9A—C9—H9C109.5H99A—C99—H99C109.5
H9B—C9—H9C109.5H99B—C99—H99C109.5
C15—C10—C11120.1 (3)C105—C100—C101119.1 (3)
C15—C10—P1121.5 (2)C105—C100—P5118.4 (2)
C11—C10—P1118.3 (2)C101—C100—P5122.4 (2)
C10—C11—C12119.5 (3)C102—C101—C100120.9 (3)
C10—C11—H11120.2C102—C101—H101119.5
C12—C11—H11120.2C100—C101—H101119.5
C13—C12—C11119.9 (3)C103—C102—C101119.4 (3)
C13—C12—H12120.0C103—C102—H102120.3
C11—C12—H12120.0C101—C102—H102120.3
C12—C13—C14120.7 (3)C104—C103—C102119.9 (3)
C12—C13—H13119.6C104—C103—H103120.1
C14—C13—H13119.6C102—C103—H103120.1
C13—C14—C15119.9 (3)C103—C104—C105121.1 (3)
C13—C14—H14120.1C103—C104—H104119.4
C15—C14—H14120.1C105—C104—H104119.4
C10—C15—C14119.8 (3)C100—C105—C104119.5 (3)
C10—C15—H15120.1C100—C105—H105120.3
C14—C15—H15120.1C104—C105—H105120.3
C21—C16—C17118.9 (3)C107—C106—C111119.2 (3)
C21—C16—P1117.7 (2)C107—C106—P5117.8 (2)
C17—C16—P1123.4 (2)C111—C106—P5122.9 (2)
C18—C17—C16120.3 (3)C108—C107—C106120.5 (3)
C18—C17—H17119.9C108—C107—H107119.7
C16—C17—H17119.9C106—C107—H107119.7
C17—C18—C19120.1 (3)C109—C108—C107120.3 (3)
C17—C18—H18120.0C109—C108—H108119.8
C19—C18—H18120.0C107—C108—H108119.8
C20—C19—C18120.0 (3)C108—C109—C110119.6 (3)
C20—C19—H19120.0C108—C109—H109120.2
C18—C19—H19120.0C110—C109—H109120.2
C19—C20—C21119.9 (4)C111—C110—C109120.2 (3)
C19—C20—H20120.0C111—C110—H110119.9
C21—C20—H20120.0C109—C110—H110119.9
C16—C21—C20120.7 (3)C110—C111—C106120.0 (3)
C16—C21—H21119.6C110—C111—H111120.0
C20—C21—H21119.6C106—C111—H111120.0
C27—C22—C23118.8 (3)C117—C112—C113118.2 (3)
C27—C22—P1118.0 (2)C117—C112—P5116.6 (2)
C23—C22—P1123.1 (2)C113—C112—P5125.2 (2)
C22—C23—C24120.0 (3)C112—C113—C114120.5 (3)
C22—C23—H23120.0C112—C113—H113119.8
C24—C23—H23120.0C114—C113—H113119.8
C25—C24—C23120.6 (3)C115—C114—C113120.0 (3)
C25—C24—H24119.7C115—C114—H114120.0
C23—C24—H24119.7C113—C114—H114120.0
C26—C25—C24119.5 (3)C116—C115—C114120.3 (3)
C26—C25—H25120.2C116—C115—H115119.9
C24—C25—H25120.2C114—C115—H115119.9
C25—C26—C27120.5 (3)C115—C116—C117119.8 (3)
C25—C26—H26119.8C115—C116—H116120.1
C27—C26—H26119.8C117—C116—H116120.1
C22—C27—C26120.5 (3)C112—C117—C116121.2 (3)
C22—C27—H27119.8C112—C117—H117119.4
C26—C27—H27119.8C116—C117—H117119.4
C29—C28—C33118.7 (3)C123—C118—C119119.7 (3)
C29—C28—P2123.3 (3)C123—C118—P6122.5 (2)
C33—C28—P2118.0 (2)C119—C118—P6117.8 (2)
C30—C29—C28120.5 (3)C118—C119—C120119.9 (3)
C30—C29—H29119.8C118—C119—H119120.0
C28—C29—H29119.8C120—C119—H119120.0
C31—C30—C29120.1 (3)C121—C120—C119120.3 (3)
C31—C30—H30120.0C121—C120—H120119.9
C29—C30—H30120.0C119—C120—H120119.9
C30—C31—C32120.2 (3)C122—C121—C120119.7 (3)
C30—C31—H31119.9C122—C121—H121120.2
C32—C31—H31119.9C120—C121—H121120.2
C31—C32—C33120.3 (3)C121—C122—C123120.2 (3)
C31—C32—H32119.9C121—C122—H122119.9
C33—C32—H32119.9C123—C122—H122119.9
C32—C33—C28120.2 (3)C118—C123—C122120.2 (3)
C32—C33—H33119.9C118—C123—H123119.9
C28—C33—H33119.9C122—C123—H123119.9
C35—C34—C39117.6 (3)C125—C124—C129119.1 (3)
C35—C34—P2118.2 (2)C125—C124—P6122.7 (2)
C39—C34—P2124.2 (2)C129—C124—P6118.2 (2)
C34—C35—C36121.5 (3)C124—C125—C126120.4 (3)
C34—C35—H35119.3C124—C125—H125119.8
C36—C35—H35119.3C126—C125—H125119.8
C37—C36—C35120.1 (3)C127—C126—C125120.36 (16)
C37—C36—H36119.9C127—C126—H126119.8
C35—C36—H36119.9C125—C126—H126119.8
C36—C37—C38119.8 (3)C128—C127—C126119.70 (17)
C36—C37—H37120.1C128—C127—H127120.1
C38—C37—H37120.1C126—C127—H127120.1
C39—C38—C37120.2 (3)C127—C128—C129120.0 (3)
C39—C38—H38119.9C127—C128—H128120.0
C37—C38—H38119.9C129—C128—H128120.0
C38—C39—C34120.7 (3)C124—C129—C128120.4 (3)
C38—C39—H39119.6C124—C129—H129119.8
C34—C39—H39119.6C128—C129—H129119.8
C41—C40—C45119.1 (3)C131—C130—C135117.8 (3)
C41—C40—P2120.1 (3)C131—C130—P6124.1 (2)
C45—C40—P2120.5 (3)C135—C130—P6118.1 (2)
C40—C41—C42120.5 (4)C130—C131—C132121.2 (3)
C40—C41—H41119.7C130—C131—H131119.4
C42—C41—H41119.7C132—C131—H131119.4
C43—C42—C41120.5 (4)C133—C132—C131119.8 (3)
C43—C42—H42119.8C133—C132—H132120.1
C41—C42—H42119.8C131—C132—H132120.1
C42—C43—C44119.7 (4)C134—C133—C132120.2 (3)
C42—C43—H43120.2C134—C133—H133119.9
C44—C43—H43120.2C132—C133—H133119.9
C45—C44—C43120.1 (4)C133—C134—C135119.8 (3)
C45—C44—H44119.9C133—C134—H134120.1
C43—C44—H44119.9C135—C134—H134120.1
C40—C45—C44120.1 (4)C134—C135—C130121.2 (3)
C40—C45—H45120.0C134—C135—H135119.4
C44—C45—H45120.0C130—C135—H135119.4
P3—Ag2—P4119.09 (3)P7—Ag4—P8113.84 (3)
P3—Ag2—Cl2119.20 (3)P7—Ag4—Cl4118.99 (3)
P4—Ag2—Cl2112.70 (2)P8—Ag4—Cl4117.37 (3)
P3—Ag2—S296.42 (3)P7—Ag4—S4102.70 (2)
P4—Ag2—S2113.81 (3)P8—Ag4—S4111.64 (3)
Cl2—Ag2—S289.81 (3)Cl4—Ag4—S487.39 (2)
N7—N6—C46118.8 (3)C136—N16—N17116.9 (3)
N7—N6—H6N120 (2)C136—N16—H16N118 (2)
C46—N6—H6N115 (2)N17—N16—H16N125 (2)
C47—N7—N6118.0 (3)C137—N17—N16116.7 (3)
C46—N8—C53123.5 (3)C136—N18—C143124.1 (3)
C46—N8—H8N118 (2)C136—N18—H18N121 (2)
C53—N8—H8N119 (2)C143—N18—H18N114 (2)
C50—N9—C49116.2 (3)C139—N19—C140115.6 (3)
C52—N10—C51116.0 (3)C142—N20—C141115.0 (3)
C61—P3—C55103.27 (14)C145—P7—C157102.91 (14)
C61—P3—C67101.48 (13)C145—P7—C151104.25 (14)
C55—P3—C67106.38 (13)C157—P7—C151103.01 (14)
C61—P3—Ag2120.58 (9)C145—P7—Ag4112.01 (11)
C55—P3—Ag2107.03 (10)C157—P7—Ag4123.37 (10)
C67—P3—Ag2116.64 (10)C151—P7—Ag4109.43 (10)
C85—P4—C73103.60 (13)C163—P8—C169102.70 (15)
C85—P4—C79102.28 (14)C163—P8—C175106.46 (14)
C73—P4—C79103.66 (14)C169—P8—C175103.47 (16)
C85—P4—Ag2114.03 (9)C163—P8—Ag4117.03 (10)
C73—P4—Ag2118.23 (10)C169—P8—Ag4112.24 (10)
C79—P4—Ag2113.24 (10)C175—P8—Ag4113.55 (10)
C46—S2—Ag2102.38 (10)C136—S4—Ag498.98 (10)
N8—C46—N6117.1 (3)N18—C136—N16117.4 (3)
N8—C46—S2122.9 (2)N18—C136—S4124.0 (2)
N6—C46—S2120.0 (2)N16—C136—S4118.6 (2)
N7—C47—C49115.3 (3)N17—C137—C139114.1 (3)
N7—C47—C48124.5 (3)N17—C137—C138125.3 (3)
C49—C47—C48120.2 (3)C139—C137—C138120.5 (3)
C47—C48—H48A109.5C137—C138—H13A109.5
C47—C48—H48B109.5C137—C138—H13B109.5
H48A—C48—H48B109.5H13A—C138—H13B109.5
C47—C48—H48C109.5C137—C138—H13C109.5
H48A—C48—H48C109.5H13A—C138—H13C109.5
H48B—C48—H48C109.5H13B—C138—H13C109.5
N9—C49—C52120.5 (3)N19—C139—C142121.3 (3)
N9—C49—C47118.1 (3)N19—C139—C137117.8 (3)
C52—C49—C47121.3 (3)C142—C139—C137121.0 (3)
N9—C50—C51122.6 (3)N19—C140—C141122.6 (3)
N9—C50—H50118.7N19—C140—H140118.7
C51—C50—H50118.7C141—C140—H140118.7
N10—C51—C50121.6 (3)N20—C141—C140122.9 (3)
N10—C51—H51119.2N20—C141—H141118.6
C50—C51—H51119.2C140—C141—H141118.6
N10—C52—C49122.9 (3)N20—C142—C139122.3 (3)
N10—C52—H52118.6N20—C142—H142118.8
C49—C52—H52118.6C139—C142—H142118.8
N8—C53—C54113.4 (3)N18—C143—C144109.4 (3)
N8—C53—H53A108.9N18—C143—H14A109.8
C54—C53—H53A108.9C144—C143—H14A109.8
N8—C53—H53B108.9N18—C143—H14B109.8
C54—C53—H53B108.9C144—C143—H14B109.8
H53A—C53—H53B107.7H14A—C143—H14B108.2
C53—C54—H54A109.5C143—C144—H14C109.5
C53—C54—H54B109.5C143—C144—H14D109.5
H54A—C54—H54B109.5H14C—C144—H14D109.5
C53—C54—H54C109.5C143—C144—H14E109.5
H54A—C54—H54C109.5H14C—C144—H14E109.5
H54B—C54—H54C109.5H14D—C144—H14E109.5
C56—C55—C60118.8 (3)C146—C145—C150119.5 (3)
C56—C55—P3116.6 (2)C146—C145—P7123.5 (2)
C60—C55—P3124.6 (2)C150—C145—P7117.0 (2)
C57—C56—C55121.2 (3)C145—C146—C147120.3 (3)
C57—C56—H56119.4C145—C146—H146119.8
C55—C56—H56119.4C147—C146—H146119.8
C58—C57—C56120.3 (3)C148—C147—C146119.6 (3)
C58—C57—H57119.8C148—C147—H147120.2
C56—C57—H57119.8C146—C147—H147120.2
C57—C58—C59119.4 (3)C147—C148—C149120.7 (3)
C57—C58—H58120.3C147—C148—H148119.7
C59—C58—H58120.3C149—C148—H148119.7
C60—C59—C58120.2 (3)C150—C149—C148119.8 (4)
C60—C59—H59119.9C150—C149—H149120.1
C58—C59—H59119.9C148—C149—H149120.1
C59—C60—C55120.1 (3)C149—C150—C145120.0 (3)
C59—C60—H60119.9C149—C150—H150120.0
C55—C60—H60119.9C145—C150—H150120.0
C66—C61—C62119.4 (3)C152—C151—C156118.0 (3)
C66—C61—P3117.7 (2)C152—C151—P7118.3 (2)
C62—C61—P3122.9 (2)C156—C151—P7123.7 (2)
C61—C62—C63120.0 (3)C151—C152—C153120.9 (3)
C61—C62—H62120.0C151—C152—H152119.6
C63—C62—H62120.0C153—C152—H152119.6
C64—C63—C62119.9 (3)C154—C153—C152120.4 (3)
C64—C63—H63120.0C154—C153—H153119.8
C62—C63—H63120.0C152—C153—H153119.8
C65—C64—C63119.8 (3)C153—C154—C155119.5 (3)
C65—C64—H64120.1C153—C154—H154120.3
C63—C64—H64120.1C155—C154—H154120.3
C64—C65—C66120.8 (3)C154—C155—C156120.1 (3)
C64—C65—H65119.6C154—C155—H155120.0
C66—C65—H65119.6C156—C155—H155120.0
C61—C66—C65120.1 (3)C155—C156—C151121.1 (3)
C61—C66—H66119.9C155—C156—H156119.5
C65—C66—H66119.9C151—C156—H156119.5
C72—C67—C68119.4 (3)C162—C157—C158119.3 (3)
C72—C67—P3118.5 (2)C162—C157—P7119.1 (2)
C68—C67—P3122.1 (2)C158—C157—P7121.5 (2)
C67—C68—C69120.6 (3)C159—C158—C157120.0 (3)
C67—C68—H68119.7C159—C158—H158120.0
C69—C68—H68119.7C157—C158—H158120.0
C70—C69—C68119.3 (3)C160—C159—C158120.2 (3)
C70—C69—H69120.4C160—C159—H159119.9
C68—C69—H69120.4C158—C159—H159119.9
C71—C70—C69120.1 (3)C161—C160—C159119.8 (3)
C71—C70—H70119.9C161—C160—H160120.1
C69—C70—H70119.9C159—C160—H160120.1
C70—C71—C72120.7 (3)C160—C161—C162120.7 (3)
C70—C71—H71119.7C160—C161—H161119.6
C72—C71—H71119.7C162—C161—H161119.6
C67—C72—C71119.9 (3)C157—C162—C161119.9 (3)
C67—C72—H72120.1C157—C162—H162120.0
C71—C72—H72120.1C161—C162—H162120.0
C74—C73—C78119.0 (3)C164—C163—C168118.7 (3)
C74—C73—P4118.5 (2)C164—C163—P8117.9 (2)
C78—C73—P4122.5 (2)C168—C163—P8123.3 (2)
C75—C74—C73120.2 (3)C165—C164—C163121.2 (3)
C75—C74—H74119.9C165—C164—H164119.4
C73—C74—H74119.9C163—C164—H164119.4
C76—C75—C74120.1 (3)C166—C165—C164119.4 (3)
C76—C75—H75120.0C166—C165—H165120.3
C74—C75—H75120.0C164—C165—H165120.3
C75—C76—C77120.5 (3)C167—C166—C165120.1 (3)
C75—C76—H76119.7C167—C166—H166119.9
C77—C76—H76119.7C165—C166—H166119.9
C76—C77—C78119.8 (3)C166—C167—C168120.3 (3)
C76—C77—H77120.1C166—C167—H167119.8
C78—C77—H77120.1C168—C167—H167119.8
C77—C78—C73120.4 (3)C163—C168—C167120.2 (3)
C77—C78—H78119.8C163—C168—H168119.9
C73—C78—H78119.8C167—C168—H168119.9
C80—C79—C84119.1 (3)C174—C169—C170119.3 (3)
C80—C79—P4123.4 (2)C174—C169—P8120.7 (3)
C84—C79—P4117.5 (2)C170—C169—P8119.8 (3)
C79—C80—C81119.9 (3)C169—C170—C171119.6 (4)
C79—C80—H80120.0C169—C170—H170120.2
C81—C80—H80120.0C171—C170—H170120.2
C82—C81—C80120.4 (3)C172—C171—C170120.0 (4)
C82—C81—H81119.8C172—C171—H171120.0
C80—C81—H81119.8C170—C171—H171120.0
C81—C82—C83119.8 (3)C173—C172—C171120.2 (4)
C81—C82—H82120.1C173—C172—H172119.9
C83—C82—H82120.1C171—C172—H172119.9
C82—C83—C84120.4 (3)C172—C173—C174120.5 (5)
C82—C83—H83119.8C172—C173—H173119.7
C84—C83—H83119.8C174—C173—H173119.7
C83—C84—C79120.3 (3)C169—C174—C173120.3 (4)
C83—C84—H84119.8C169—C174—H174119.9
C79—C84—H84119.8C173—C174—H174119.9
C90—C85—C86118.4 (3)C176—C175—C180118.9 (3)
C90—C85—P4123.1 (2)C176—C175—P8117.6 (2)
C86—C85—P4118.5 (2)C180—C175—P8123.4 (3)
C87—C86—C85120.3 (3)C175—C176—C177120.9 (3)
C87—C86—H86119.8C175—C176—H176119.6
C85—C86—H86119.8C177—C176—H176119.6
C88—C87—C86120.4 (3)C178—C177—C176119.5 (3)
C88—C87—H87119.8C178—C177—H177120.2
C86—C87—H87119.8C176—C177—H177120.2
C87—C88—C89120.2 (3)C179—C178—C177119.8 (3)
C87—C88—H88119.9C179—C178—H178120.1
C89—C88—H88119.9C177—C178—H178120.1
C88—C89—C90120.1 (3)C178—C179—C180121.5 (3)
C88—C89—H89119.9C178—C179—H179119.3
C90—C89—H89119.9C180—C179—H179119.3
C89—C90—C85120.5 (3)C179—C180—C175119.4 (3)
C89—C90—H90119.7C179—C180—H180120.3
C85—C90—H90119.7C175—C180—H180120.3
C1—N1—N2—C2175.1 (3)C91—N11—N12—C92175.4 (3)
P2—Ag1—P1—C16171.02 (11)P6—Ag3—P5—C10645.33 (12)
Cl1—Ag1—P1—C1642.66 (11)Cl3—Ag3—P5—C10699.22 (12)
S1—Ag1—P1—C1650.32 (11)S3—Ag3—P5—C106166.21 (12)
P2—Ag1—P1—C1065.75 (12)P6—Ag3—P5—C11271.79 (10)
Cl1—Ag1—P1—C1080.56 (12)Cl3—Ag3—P5—C112143.66 (10)
S1—Ag1—P1—C10173.54 (12)S3—Ag3—P5—C11249.10 (10)
P2—Ag1—P1—C2254.75 (11)P6—Ag3—P5—C100168.89 (10)
Cl1—Ag1—P1—C22158.94 (10)Cl3—Ag3—P5—C10024.33 (11)
S1—Ag1—P1—C2265.95 (11)S3—Ag3—P5—C10070.23 (11)
P1—Ag1—P2—C3472.92 (12)P5—Ag3—P6—C13045.98 (11)
Cl1—Ag1—P2—C34139.47 (12)Cl3—Ag3—P6—C130100.82 (11)
S1—Ag1—P2—C3440.56 (12)S3—Ag3—P6—C130158.84 (10)
P1—Ag1—P2—C28162.91 (12)P5—Ag3—P6—C118167.00 (12)
Cl1—Ag1—P2—C2815.31 (13)Cl3—Ag3—P6—C11820.20 (12)
S1—Ag1—P2—C2883.61 (12)S3—Ag3—P6—C11880.13 (12)
P1—Ag1—P2—C4044.35 (12)P5—Ag3—P6—C12470.80 (12)
Cl1—Ag1—P2—C40103.25 (12)Cl3—Ag3—P6—C124142.39 (11)
S1—Ag1—P2—C40157.84 (12)S3—Ag3—P6—C12442.06 (12)
P1—Ag1—S1—C1162.42 (11)P5—Ag3—S3—C91167.61 (11)
P2—Ag1—S1—C139.57 (11)P6—Ag3—S3—C9142.04 (12)
Cl1—Ag1—S1—C177.75 (11)Cl3—Ag3—S3—C9172.71 (11)
C8—N3—C1—N1177.1 (3)C98—N13—C91—N11179.3 (3)
C8—N3—C1—S13.0 (4)C98—N13—C91—S30.4 (4)
N2—N1—C1—N37.9 (4)N12—N11—C91—N139.7 (4)
N2—N1—C1—S1172.1 (2)N12—N11—C91—S3170.0 (2)
Ag1—S1—C1—N3130.6 (3)Ag3—S3—C91—N13135.6 (2)
Ag1—S1—C1—N149.3 (3)Ag3—S3—C91—N1144.0 (3)
N1—N2—C2—C4178.4 (3)N11—N12—C92—C94177.2 (3)
N1—N2—C2—C32.9 (5)N11—N12—C92—C932.0 (5)
C5—N4—C4—C74.2 (5)C95—N14—C94—C973.8 (5)
C5—N4—C4—C2174.9 (3)C95—N14—C94—C92177.1 (3)
N2—C2—C4—N4166.8 (3)N12—C92—C94—N14168.3 (3)
C3—C2—C4—N414.5 (5)C93—C92—C94—N1411.0 (4)
N2—C2—C4—C712.3 (5)N12—C92—C94—C9712.6 (4)
C3—C2—C4—C7166.4 (3)C93—C92—C94—C97168.2 (3)
C4—N4—C5—C60.7 (6)C94—N14—C95—C960.1 (5)
C7—N5—C6—C53.1 (5)C97—N15—C96—C951.9 (5)
N4—C5—C6—N53.1 (6)N14—C95—C96—N152.9 (6)
C6—N5—C7—C40.5 (5)C96—N15—C97—C941.8 (5)
N4—C4—C7—N54.3 (5)N14—C94—C97—N154.9 (5)
C2—C4—C7—N5174.8 (3)C92—C94—C97—N15176.1 (3)
C1—N3—C8—C977.7 (4)C91—N13—C98—C9979.4 (4)
C16—P1—C10—C1532.8 (3)C106—P5—C100—C105136.8 (3)
C22—P1—C10—C1575.4 (3)C112—P5—C100—C105115.4 (3)
Ag1—P1—C10—C15160.8 (2)Ag3—P5—C100—C1054.2 (3)
C16—P1—C10—C11149.4 (2)C106—P5—C100—C10140.5 (3)
C22—P1—C10—C11102.3 (2)C112—P5—C100—C10167.3 (3)
Ag1—P1—C10—C1121.5 (3)Ag3—P5—C100—C101173.0 (2)
C15—C10—C11—C122.0 (4)C105—C100—C101—C1022.5 (4)
P1—C10—C11—C12175.7 (2)P5—C100—C101—C102179.7 (2)
C10—C11—C12—C130.3 (4)C100—C101—C102—C1030.8 (4)
C11—C12—C13—C142.1 (4)C101—C102—C103—C1041.8 (5)
C12—C13—C14—C151.5 (5)C102—C103—C104—C1052.6 (5)
C11—C10—C15—C142.6 (4)C101—C100—C105—C1041.7 (5)
P1—C10—C15—C14175.1 (2)P5—C100—C105—C104179.0 (3)
C13—C14—C15—C100.9 (4)C103—C104—C105—C1000.8 (6)
C10—P1—C16—C2184.9 (3)C112—P5—C106—C107179.9 (2)
C22—P1—C16—C21167.7 (3)C100—P5—C106—C10770.2 (2)
Ag1—P1—C16—C2148.1 (3)Ag3—P5—C106—C10761.1 (3)
C10—P1—C16—C1796.7 (3)C112—P5—C106—C1110.0 (3)
C22—P1—C16—C1710.8 (3)C100—P5—C106—C111109.9 (2)
Ag1—P1—C16—C17130.3 (2)Ag3—P5—C106—C111118.8 (2)
C21—C16—C17—C181.5 (5)C111—C106—C107—C1080.2 (4)
P1—C16—C17—C18180.0 (2)P5—C106—C107—C108180.0 (2)
C16—C17—C18—C191.1 (5)C106—C107—C108—C1091.3 (4)
C17—C18—C19—C201.7 (5)C107—C108—C109—C1102.0 (4)
C18—C19—C20—C210.4 (6)C108—C109—C110—C1111.3 (4)
C17—C16—C21—C203.6 (5)C109—C110—C111—C1060.1 (4)
P1—C16—C21—C20177.9 (3)C107—C106—C111—C1100.9 (4)
C19—C20—C21—C163.0 (6)P5—C106—C111—C110179.3 (2)
C16—P1—C22—C2774.5 (3)C106—P5—C112—C11792.7 (2)
C10—P1—C22—C27178.3 (2)C100—P5—C112—C117161.3 (2)
Ag1—P1—C22—C2747.3 (3)Ag3—P5—C112—C11734.8 (2)
C16—P1—C22—C23108.1 (3)C106—P5—C112—C11387.2 (3)
C10—P1—C22—C230.9 (3)C100—P5—C112—C11318.8 (3)
Ag1—P1—C22—C23130.1 (2)Ag3—P5—C112—C113145.4 (2)
C27—C22—C23—C242.0 (5)C117—C112—C113—C1140.9 (4)
P1—C22—C23—C24179.4 (3)P5—C112—C113—C114179.0 (2)
C22—C23—C24—C250.5 (5)C112—C113—C114—C1150.1 (5)
C23—C24—C25—C260.2 (5)C113—C114—C115—C1160.9 (5)
C24—C25—C26—C270.6 (5)C114—C115—C116—C1170.7 (5)
C23—C22—C27—C262.8 (5)C113—C112—C117—C1161.1 (5)
P1—C22—C27—C26179.6 (2)P5—C112—C117—C116178.8 (3)
C25—C26—C27—C222.2 (5)C115—C116—C117—C1120.3 (5)
C34—P2—C28—C2917.2 (3)C130—P6—C118—C123101.4 (3)
C40—P2—C28—C2991.1 (3)C124—P6—C118—C1234.9 (3)
Ag1—P2—C28—C29144.6 (2)Ag3—P6—C118—C123132.8 (2)
C34—P2—C28—C33162.8 (3)C130—P6—C118—C11978.0 (3)
C40—P2—C28—C3388.9 (3)C124—P6—C118—C119175.7 (2)
Ag1—P2—C28—C3335.4 (3)Ag3—P6—C118—C11947.9 (3)
C33—C28—C29—C300.9 (5)C123—C118—C119—C1202.3 (5)
P2—C28—C29—C30179.1 (3)P6—C118—C119—C120177.1 (3)
C28—C29—C30—C311.4 (5)C118—C119—C120—C1210.5 (5)
C29—C30—C31—C321.9 (5)C119—C120—C121—C1221.5 (5)
C30—C31—C32—C330.2 (6)C120—C121—C122—C1231.8 (5)
C31—C32—C33—C282.1 (5)C119—C118—C123—C1222.0 (5)
C29—C28—C33—C322.6 (5)P6—C118—C123—C122177.3 (3)
P2—C28—C33—C32177.4 (3)C121—C122—C123—C1180.0 (5)
C28—P2—C34—C35112.0 (3)C130—P6—C124—C12520.6 (3)
C40—P2—C34—C35140.5 (3)C118—P6—C124—C12586.7 (3)
Ag1—P2—C34—C3517.6 (3)Ag3—P6—C124—C125143.5 (2)
C28—P2—C34—C3969.6 (3)C130—P6—C124—C129160.0 (2)
C40—P2—C34—C3937.9 (3)C118—P6—C124—C12992.7 (2)
Ag1—P2—C34—C39160.8 (2)Ag3—P6—C124—C12937.1 (3)
C39—C34—C35—C361.3 (5)C129—C124—C125—C1260.2 (4)
P2—C34—C35—C36177.2 (3)P6—C124—C125—C126179.2 (2)
C34—C35—C36—C370.9 (6)C124—C125—C126—C1270.8 (3)
C35—C36—C37—C380.4 (5)C125—C126—C127—C1281.1 (2)
C36—C37—C38—C390.4 (5)C126—C127—C128—C1290.4 (4)
C37—C38—C39—C340.8 (5)C125—C124—C129—C1281.0 (4)
C35—C34—C39—C381.2 (5)P6—C124—C129—C128178.5 (2)
P2—C34—C39—C38177.2 (2)C127—C128—C129—C1240.6 (5)
C34—P2—C40—C41150.4 (3)C118—P6—C130—C1312.2 (3)
C28—P2—C40—C4139.8 (3)C124—P6—C130—C131109.4 (3)
Ag1—P2—C40—C4186.9 (3)Ag3—P6—C130—C131126.6 (2)
C34—P2—C40—C4535.7 (3)C118—P6—C130—C135178.9 (2)
C28—P2—C40—C45146.3 (3)C124—P6—C130—C13571.8 (2)
Ag1—P2—C40—C4587.0 (3)Ag3—P6—C130—C13552.2 (2)
C45—C40—C41—C420.6 (5)C135—C130—C131—C1320.7 (5)
P2—C40—C41—C42173.4 (3)P6—C130—C131—C132179.6 (3)
C40—C41—C42—C431.6 (6)C130—C131—C132—C1330.1 (5)
C41—C42—C43—C440.9 (6)C131—C132—C133—C1340.8 (5)
C42—C43—C44—C450.9 (6)C132—C133—C134—C1350.6 (5)
C41—C40—C45—C441.2 (5)C133—C134—C135—C1300.3 (5)
P2—C40—C45—C44175.2 (3)C131—C130—C135—C1340.9 (4)
C43—C44—C45—C402.0 (6)P6—C130—C135—C134179.8 (2)
C46—N6—N7—C47176.4 (3)C136—N16—N17—C137171.8 (3)
P4—Ag2—P3—C6145.67 (12)P8—Ag4—P7—C145170.74 (11)
Cl2—Ag2—P3—C6199.11 (12)Cl4—Ag4—P7—C14544.22 (11)
S2—Ag2—P3—C61167.51 (12)S4—Ag4—P7—C14549.88 (11)
P4—Ag2—P3—C5571.71 (10)P8—Ag4—P7—C15765.57 (13)
Cl2—Ag2—P3—C55143.51 (10)Cl4—Ag4—P7—C15779.47 (13)
S2—Ag2—P3—C5550.13 (10)S4—Ag4—P7—C157173.58 (12)
P4—Ag2—P3—C67169.38 (11)P8—Ag4—P7—C15155.65 (11)
Cl2—Ag2—P3—C6724.60 (12)Cl4—Ag4—P7—C151159.31 (10)
S2—Ag2—P3—C6768.79 (11)S4—Ag4—P7—C15165.21 (11)
P3—Ag2—P4—C8571.76 (12)P7—Ag4—P8—C163159.19 (12)
Cl2—Ag2—P4—C85141.31 (12)Cl4—Ag4—P8—C16313.55 (12)
S2—Ag2—P4—C8540.90 (12)S4—Ag4—P8—C16385.09 (12)
P3—Ag2—P4—C73166.14 (12)P7—Ag4—P8—C16940.81 (13)
Cl2—Ag2—P4—C7319.21 (12)Cl4—Ag4—P8—C169104.82 (13)
S2—Ag2—P4—C7381.19 (12)S4—Ag4—P8—C169156.53 (13)
P3—Ag2—P4—C7944.65 (11)P7—Ag4—P8—C17576.10 (12)
Cl2—Ag2—P4—C79102.28 (10)Cl4—Ag4—P8—C175138.26 (12)
S2—Ag2—P4—C79157.32 (10)S4—Ag4—P8—C17539.62 (12)
P3—Ag2—S2—C46167.73 (11)P7—Ag4—S4—C136163.09 (11)
P4—Ag2—S2—C4641.97 (11)P8—Ag4—S4—C13640.74 (11)
Cl2—Ag2—S2—C4672.89 (11)Cl4—Ag4—S4—C13677.76 (11)
C53—N8—C46—N6179.8 (3)C143—N18—C136—N16172.0 (3)
C53—N8—C46—S20.9 (4)C143—N18—C136—S47.9 (5)
N7—N6—C46—N810.5 (4)N17—N16—C136—N187.2 (4)
N7—N6—C46—S2168.8 (2)N17—N16—C136—S4172.9 (2)
Ag2—S2—C46—N8136.1 (2)Ag4—S4—C136—N18133.4 (3)
Ag2—S2—C46—N643.2 (3)Ag4—S4—C136—N1646.7 (3)
N6—N7—C47—C49177.6 (3)N16—N17—C137—C139176.8 (3)
N6—N7—C47—C482.1 (5)N16—N17—C137—C1382.3 (5)
C50—N9—C49—C524.3 (5)C140—N19—C139—C1424.9 (5)
C50—N9—C49—C47173.5 (3)C140—N19—C139—C137174.4 (3)
N7—C47—C49—N9166.7 (3)N17—C137—C139—N19163.8 (3)
C48—C47—C49—N913.0 (4)C138—C137—C139—N1915.4 (4)
N7—C47—C49—C5211.2 (4)N17—C137—C139—C14215.5 (4)
C48—C47—C49—C52169.2 (3)C138—C137—C139—C142165.3 (3)
C49—N9—C50—C510.4 (5)C139—N19—C140—C1410.4 (6)
C52—N10—C51—C503.8 (5)C142—N20—C141—C1402.5 (6)
N9—C50—C51—N104.7 (6)N19—C140—C141—N203.5 (7)
C51—N10—C52—C491.0 (5)C141—N20—C142—C1392.1 (5)
N9—C49—C52—N105.3 (5)N19—C139—C142—N206.0 (5)
C47—C49—C52—N10172.5 (3)C137—C139—C142—N20173.3 (3)
C46—N8—C53—C5480.1 (4)C136—N18—C143—C14486.4 (4)
C61—P3—C55—C5693.1 (3)C157—P7—C145—C14690.1 (3)
C67—P3—C55—C56160.5 (2)C151—P7—C145—C14617.1 (3)
Ag2—P3—C55—C5635.1 (3)Ag4—P7—C145—C146135.4 (2)
C61—P3—C55—C6087.9 (3)C157—P7—C145—C15090.1 (3)
C67—P3—C55—C6018.5 (3)C151—P7—C145—C150162.6 (3)
Ag2—P3—C55—C60143.9 (2)Ag4—P7—C145—C15044.4 (3)
C60—C55—C56—C572.1 (5)C150—C145—C146—C1472.4 (5)
P3—C55—C56—C57178.8 (3)P7—C145—C146—C147177.8 (2)
C55—C56—C57—C580.8 (5)C145—C146—C147—C1480.1 (5)
C56—C57—C58—C590.8 (5)C146—C147—C148—C1491.5 (5)
C57—C58—C59—C601.1 (5)C147—C148—C149—C1500.4 (6)
C58—C59—C60—C550.2 (5)C148—C149—C150—C1452.2 (6)
C56—C55—C60—C591.8 (4)C146—C145—C150—C1493.6 (5)
P3—C55—C60—C59179.3 (2)P7—C145—C150—C149176.7 (3)
C55—P3—C61—C66179.7 (2)C145—P7—C151—C15278.6 (3)
C67—P3—C61—C6670.3 (2)C157—P7—C151—C152174.3 (2)
Ag2—P3—C61—C6660.4 (2)Ag4—P7—C151—C15241.4 (2)
C55—P3—C61—C621.2 (3)C145—P7—C151—C156103.5 (3)
C67—P3—C61—C62111.3 (2)C157—P7—C151—C1563.7 (3)
Ag2—P3—C61—C62118.0 (2)Ag4—P7—C151—C156136.6 (2)
C66—C61—C62—C631.6 (4)C156—C151—C152—C1531.5 (4)
P3—C61—C62—C63180.0 (2)P7—C151—C152—C153179.6 (2)
C61—C62—C63—C640.5 (4)C151—C152—C153—C1540.7 (5)
C62—C63—C64—C651.0 (4)C152—C153—C154—C1550.3 (5)
C63—C64—C65—C661.4 (4)C153—C154—C155—C1560.3 (5)
C62—C61—C66—C651.2 (4)C154—C155—C156—C1510.6 (5)
P3—C61—C66—C65179.7 (2)C152—C151—C156—C1551.5 (5)
C64—C65—C66—C610.3 (4)P7—C151—C156—C155179.5 (2)
C61—P3—C67—C72136.3 (3)C145—P7—C157—C162149.3 (2)
C55—P3—C67—C72116.0 (3)C151—P7—C157—C162102.5 (2)
Ag2—P3—C67—C723.3 (3)Ag4—P7—C157—C16221.6 (3)
C61—P3—C67—C6840.0 (3)C145—P7—C157—C15833.4 (3)
C55—P3—C67—C6867.6 (3)C151—P7—C157—C15874.8 (3)
Ag2—P3—C67—C68173.1 (2)Ag4—P7—C157—C158161.1 (2)
C72—C67—C68—C693.6 (4)C162—C157—C158—C1593.2 (4)
P3—C67—C68—C69179.9 (2)P7—C157—C158—C159174.2 (2)
C67—C68—C69—C701.6 (4)C157—C158—C159—C1601.3 (4)
C68—C69—C70—C710.8 (5)C158—C159—C160—C1611.2 (4)
C69—C70—C71—C721.2 (5)C159—C160—C161—C1621.8 (5)
C68—C67—C72—C713.1 (5)C158—C157—C162—C1612.6 (4)
P3—C67—C72—C71179.5 (3)P7—C157—C162—C161174.8 (2)
C70—C71—C72—C670.7 (5)C160—C161—C162—C1570.2 (4)
C85—P4—C73—C74174.1 (3)C169—P8—C163—C16488.6 (3)
C79—P4—C73—C7479.4 (3)C175—P8—C163—C164163.0 (3)
Ag2—P4—C73—C7446.8 (3)Ag4—P8—C163—C16434.8 (3)
C85—P4—C73—C786.1 (3)C169—P8—C163—C16890.5 (3)
C79—P4—C73—C78100.4 (3)C175—P8—C163—C16817.9 (3)
Ag2—P4—C73—C78133.4 (2)Ag4—P8—C163—C168146.1 (2)
C78—C73—C74—C753.1 (5)C168—C163—C164—C1651.8 (5)
P4—C73—C74—C75176.7 (3)P8—C163—C164—C165177.4 (3)
C73—C74—C75—C762.5 (5)C163—C164—C165—C1661.7 (5)
C74—C75—C76—C770.1 (5)C164—C165—C166—C1670.5 (5)
C75—C76—C77—C781.7 (5)C165—C166—C167—C1680.5 (5)
C76—C77—C78—C731.1 (5)C164—C163—C168—C1670.8 (5)
C74—C73—C78—C771.3 (5)P8—C163—C168—C167178.3 (3)
P4—C73—C78—C77178.5 (2)C166—C167—C168—C1630.3 (5)
C85—P4—C79—C80109.9 (3)C163—P8—C169—C17436.9 (3)
C73—P4—C79—C802.4 (3)C175—P8—C169—C174147.6 (3)
Ag2—P4—C79—C80127.0 (2)Ag4—P8—C169—C17489.6 (3)
C85—P4—C79—C8471.8 (2)C163—P8—C169—C170148.7 (3)
C73—P4—C79—C84179.3 (2)C175—P8—C169—C17038.0 (3)
Ag2—P4—C79—C8451.3 (2)Ag4—P8—C169—C17084.8 (3)
C84—C79—C80—C810.2 (4)C174—C169—C170—C1711.6 (5)
P4—C79—C80—C81178.5 (2)P8—C169—C170—C171176.2 (3)
C79—C80—C81—C821.2 (5)C169—C170—C171—C1722.4 (6)
C80—C81—C82—C831.6 (5)C170—C171—C172—C1732.2 (7)
C81—C82—C83—C840.5 (5)C171—C172—C173—C1741.1 (7)
C82—C83—C84—C791.0 (5)C170—C169—C174—C1730.6 (5)
C80—C79—C84—C831.3 (5)P8—C169—C174—C173175.1 (3)
P4—C79—C84—C83179.7 (3)C172—C173—C174—C1690.4 (6)
C73—P4—C85—C9084.4 (3)C163—P8—C175—C176109.5 (3)
C79—P4—C85—C9023.2 (3)C169—P8—C175—C176142.6 (3)
Ag2—P4—C85—C90145.8 (2)Ag4—P8—C175—C17620.7 (3)
C73—P4—C85—C8695.2 (2)C163—P8—C175—C18073.0 (3)
C79—P4—C85—C86157.3 (2)C169—P8—C175—C18034.9 (3)
Ag2—P4—C85—C8634.6 (3)Ag4—P8—C175—C180156.8 (2)
C90—C85—C86—C870.4 (4)C180—C175—C176—C1770.0 (5)
P4—C85—C86—C87179.9 (2)P8—C175—C176—C177177.6 (3)
C85—C86—C87—C880.6 (5)C175—C176—C177—C1781.2 (5)
C86—C87—C88—C890.6 (5)C176—C177—C178—C1791.9 (5)
C87—C88—C89—C900.4 (5)C177—C178—C179—C1801.4 (5)
C88—C89—C90—C850.2 (5)C178—C179—C180—C1750.1 (5)
C86—C85—C90—C890.2 (4)C176—C175—C180—C1790.6 (5)
P4—C85—C90—C89179.8 (2)P8—C175—C180—C179176.9 (2)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N1—H1N···Cl10.88 (2)2.54 (2)3.381 (3)163 (3)
N3—H3N···Cl30.87 (2)2.68 (3)3.406 (3)142 (3)
N6—H6N···Cl20.88 (2)2.53 (2)3.370 (3)162 (3)
N8—H8N···Cl40.86 (2)2.68 (3)3.411 (3)143 (3)
N11—H11N···Cl30.88 (2)2.52 (2)3.363 (3)161 (3)
N13—H13N···Cl20.88 (2)2.65 (2)3.423 (3)147 (3)
N16—H16N···Cl40.86 (2)2.50 (2)3.338 (3)164 (3)
N18—H18N···Cl1i0.86 (2)2.70 (3)3.425 (3)143 (3)
Symmetry code: (i) x1, y, z1.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N1—H1N···Cl10.875 (17)2.54 (2)3.381 (3)163 (3)
N3—H3N···Cl30.871 (17)2.68 (3)3.406 (3)142 (3)
N6—H6N···Cl20.877 (17)2.53 (2)3.370 (3)162 (3)
N8—H8N···Cl40.861 (17)2.68 (3)3.411 (3)143 (3)
N11—H11N···Cl30.882 (17)2.52 (2)3.363 (3)161 (3)
N13—H13N···Cl20.878 (17)2.65 (2)3.423 (3)147 (3)
N16—H16N···Cl40.860 (17)2.502 (19)3.338 (3)164 (3)
N18—H18N···Cl1i0.860 (17)2.70 (3)3.425 (3)143 (3)
Symmetry code: (i) x1, y, z1.
Acknowledgements top

The National Science Foundation is acknowledged for a CAREER award (CHE–1056927) to MAH. Purchase of the diffractometer was made possible by grant No. LEQSF (1999–2000)–ENH–TR–13, administered by the Louisiana Board of Regents.

references
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